N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide

C19H28N4O2 — CID 124969226

IUPACN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide
SMILESCN(C(=O)CCCN1CCCC1=O)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H28N4O2/c1-21(18(24)9-5-12-22-13-6-10-19(22)25)16-7-4-14-23(15-16)17-8-2-3-11-20-17/h2-3,8,11,16H,4-7,9-10,12-15H2,1H3/t16-/m0/s1
InChIKeyJHFWSDQLYWAKCU-INIZCTEOSA-N
MW344.46 g/mol
LogP1.91
Rot. Bonds6

About N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide (PubChem CID 124969226) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide
PubChem CID124969226
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide
SMILESCN(C(=O)CCCN1CCCC1=O)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H28N4O2/c1-21(18(24)9-5-12-22-13-6-10-19(22)25)16-7-4-14-23(15-16)17-8-2-3-11-20-17/h2-3,8,11,16H,4-7,9-10,12-15H2,1H3/t16-/m0/s1
InChIKeyJHFWSDQLYWAKCU-INIZCTEOSA-N
XLogP1.91
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide with MolForge

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Related Compounds

N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124997513
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124985299
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45225536
3-(2-ethylimidazol-1-yl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124939708
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124975661
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide?
The IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide (CID 124969226) is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide.
What is the SMILES notation for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide?
The canonical SMILES for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide is CN(C(=O)CCCN1CCCC1=O)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide?
The InChIKey is JHFWSDQLYWAKCU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21(18(24)9-5-12-22-13-6-10-19(22)25)16-7-4-14-23(15-16)17-8-2-3-11-20-17/h2-3,8,11,16H,4-7,9-10,12-15H2,1H3/t16-/m0/s1.
What are the key properties of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide?
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide has a molecular weight of 344.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide is sourced from PubChem (CID 124969226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).