methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one

C45H99N7O2 — CID 158050923

IUPACmethane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one
SMILESC.C.C.C.C.CC(C)N1CCCC(N2CCCC2=O)C1.CC(C)N1CCCC(N2CCNC2=O)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)C1
InChIInChI=1S/C12H22N2O.C11H21N3O.C9H19N.C8H17N.5CH4/c1-10(2)13-7-3-5-11(9-13)14-8-4-6-12(14)15;1-9(2)13-6-3-4-10(8-13)14-7-5-12-11(14)15;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-4-8(3)6-9;;;;;/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,15);8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;5*1H4
InChIKeyFJLYCGBTQFLWIC-UHFFFAOYSA-N
MW770.33 g/mol
LogP9.41
Rot. Bonds6

About methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one

methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one (PubChem CID 158050923) has the molecular formula C45H99N7O2 and a molecular weight of 770.33 g/mol. Its IUPAC name is methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Namemethane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one
PubChem CID158050923
Molecular FormulaC45H99N7O2
Molecular Weight770.33 g/mol
Exact Mass769.79
IUPAC Namemethane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one
SMILESC.C.C.C.C.CC(C)N1CCCC(N2CCCC2=O)C1.CC(C)N1CCCC(N2CCNC2=O)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)C1
InChIInChI=1S/C12H22N2O.C11H21N3O.C9H19N.C8H17N.5CH4/c1-10(2)13-7-3-5-11(9-13)14-8-4-6-12(14)15;1-9(2)13-6-3-4-10(8-13)14-7-5-12-11(14)15;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-4-8(3)6-9;;;;;/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,15);8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;5*1H4
InChIKeyFJLYCGBTQFLWIC-UHFFFAOYSA-N
XLogP9.41
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.33
LogP ≤ 59.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(3R,4R)-3-amino-4-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-methylpentyl]-3-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)urea
CID 126565111
Ethane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 157132722
Methane;3-methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one
CID 157287480
1,3-Dimethylimidazolidine;1,3-dimethylimidazolidin-2-one;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;1,4-dimethylpyrrolidin-2-one
CID 157814957
3-Methyl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one
CID 159287698
3-Methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one
CID 161667916
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 56021869
1-[1-[1-(Pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-3-yl]piperazin-2-one
CID 120401327
(3-Piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 120997457
(3-Piperazin-1-ylpyrrolidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120997458

Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one?
The IUPAC name of methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one (CID 158050923) is methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one is C.C.C.C.C.CC(C)N1CCCC(N2CCCC2=O)C1.CC(C)N1CCCC(N2CCNC2=O)C1.CC1CCCN(C(C)C)C1.CC1CCN(C(C)C)C1.
What is the InChIKey of methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one?
The InChIKey is FJLYCGBTQFLWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C11H21N3O.C9H19N.C8H17N.5CH4/c1-10(2)13-7-3-5-11(9-13)14-8-4-6-12(14)15;1-9(2)13-6-3-4-10(8-13)14-7-5-12-11(14)15;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-5-4-8(3)6-9;;;;;/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,15);8-9H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;5*1H4.
What are the key properties of methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one?
methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one has a molecular weight of 770.33 g/mol, XLogP of 9.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;1-(1-propan-2-ylpiperidin-3-yl)imidazolidin-2-one;1-(1-propan-2-ylpiperidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 158050923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).