N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C16H29N3O2 — CID 131942080

IUPACN-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCC2CCN(C)CC2)CC1=O
InChIInChI=1S/C16H29N3O2/c1-12(2)10-19-11-14(8-15(19)20)16(21)17-9-13-4-6-18(3)7-5-13/h12-14H,4-11H2,1-3H3,(H,17,21)
InChIKeyZTSCQAISQUIAOJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.95
Rot. Bonds5

About N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 131942080) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID131942080
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NCC2CCN(C)CC2)CC1=O
InChIInChI=1S/C16H29N3O2/c1-12(2)10-19-11-14(8-15(19)20)16(21)17-9-13-4-6-18(3)7-5-13/h12-14H,4-11H2,1-3H3,(H,17,21)
InChIKeyZTSCQAISQUIAOJ-UHFFFAOYSA-N
XLogP0.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
1-(2-methylpropyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182038
(3S)-N-(2-bromoprop-2-enyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95254623
N-(4-hydroxy-2-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66109437
(3R)-N-[2-[ethyl(methyl)amino]ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127297
1-(2-methylpropyl)-5-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 50956223
N-(3-hydroxy-4-methoxybutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103877477
1-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369448
6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43352899
N-(2-hydroxy-2-methylpentyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 103713275
4-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525988
3-[[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]pentanoic acid
CID 81064929

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 131942080) is N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NCC2CCN(C)CC2)CC1=O.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZTSCQAISQUIAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)10-19-11-14(8-15(19)20)16(21)17-9-13-4-6-18(3)7-5-13/h12-14H,4-11H2,1-3H3,(H,17,21).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 131942080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).