N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide

C17H33N3O — CID 63141311

IUPACN-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCC(C(C)C)N2CCCC2)CCNC1
InChIInChI=1S/C17H33N3O/c1-4-7-17(8-9-18-13-17)16(21)19-12-15(14(2)3)20-10-5-6-11-20/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyJJSVYSJHENMFEF-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.00
Rot. Bonds7

About N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide

N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63141311) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63141311
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCC(C(C)C)N2CCCC2)CCNC1
InChIInChI=1S/C17H33N3O/c1-4-7-17(8-9-18-13-17)16(21)19-12-15(14(2)3)20-10-5-6-11-20/h14-15,18H,4-13H2,1-3H3,(H,19,21)
InChIKeyJJSVYSJHENMFEF-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 83142761
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide
CID 115448375
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
3-ethyl-N-(2-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 63131690
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
N-[2-(dimethylamino)-3-methylbutyl]-4-propylpiperidine-4-carboxamide
CID 63128641
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63138470

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide (CID 63141311) is N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCC(C(C)C)N2CCCC2)CCNC1.
What is the InChIKey of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is JJSVYSJHENMFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-7-17(8-9-18-13-17)16(21)19-12-15(14(2)3)20-10-5-6-11-20/h14-15,18H,4-13H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide?
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).