4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide

C18H36N4O2 — CID 91650117

IUPAC4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
SMILESCCCN1CCC(CNC(=O)N2CCN(CC(C)(C)O)C(C)C2)C1
InChIInChI=1S/C18H36N4O2/c1-5-7-20-8-6-16(13-20)11-19-17(23)21-9-10-22(15(2)12-21)14-18(3,4)24/h15-16,24H,5-14H2,1-4H3,(H,19,23)
InChIKeyFHSUONQDRIZMHZ-UHFFFAOYSA-N
MW340.51 g/mol
LogP1.20
Rot. Bonds6

About 4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide

4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 91650117) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
PubChem CID91650117
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
SMILESCCCN1CCC(CNC(=O)N2CCN(CC(C)(C)O)C(C)C2)C1
InChIInChI=1S/C18H36N4O2/c1-5-7-20-8-6-16(13-20)11-19-17(23)21-9-10-22(15(2)12-21)14-18(3,4)24/h15-16,24H,5-14H2,1-4H3,(H,19,23)
InChIKeyFHSUONQDRIZMHZ-UHFFFAOYSA-N
XLogP1.20
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide
CID 82109941
tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
CID 124606498
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
4-[(3,4-dimethylphenyl)methyl]-3-oxo-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 125438606
tert-butyl N-[[1-[2-(propylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963319
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 65226566
4-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-diazepane-1-carboxamide
CID 52502653
7-nitro-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 96537549
tert-butyl N-[[1-(2-hydroxyethyl)pyrrolidin-3-yl]methyl]carbamate
CID 66565988
1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032278

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide (CID 91650117) is 4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide is CCCN1CCC(CNC(=O)N2CCN(CC(C)(C)O)C(C)C2)C1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is FHSUONQDRIZMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-5-7-20-8-6-16(13-20)11-19-17(23)21-9-10-22(15(2)12-21)14-18(3,4)24/h15-16,24H,5-14H2,1-4H3,(H,19,23).
What are the key properties of 4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 340.51 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 91650117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).