1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one

C14H22N4O — CID 74231333

IUPAC1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCc1[nH]cnc1CN1CCCC(N2CCCC2=O)C1
InChIInChI=1S/C14H22N4O/c1-11-13(16-10-15-11)9-17-6-2-4-12(8-17)18-7-3-5-14(18)19/h10,12H,2-9H2,1H3,(H,15,16)
InChIKeyAEMOALDFRVBRRW-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.30
Rot. Bonds3

About 1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one

1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 74231333) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID74231333
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCc1[nH]cnc1CN1CCCC(N2CCCC2=O)C1
InChIInChI=1S/C14H22N4O/c1-11-13(16-10-15-11)9-17-6-2-4-12(8-17)18-7-3-5-14(18)19/h10,12H,2-9H2,1H3,(H,15,16)
InChIKeyAEMOALDFRVBRRW-UHFFFAOYSA-N
XLogP1.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-oxopyrrolidin-1-yl)methyl]-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
CID 97519487
N-cyclohexyl-1-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
CID 97519489
N-(2-Methylpropyl)-4-(piperidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 46264348
(2S,4R)-4-amino-N,N-diethyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 56721956
N-(3-methoxypropyl)-1-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinamine
CID 70764160
N-methyl-2-{4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}acetamide
CID 74248778
1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea
CID 95222401
4,4-Dimethyl-N-[(5-methyl-1H-imidazol-4-YL)methyl]pentanamide
CID 119067776
[4-[(2-amino-1H-imidazol-5-yl)methyl]piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;trihydrochloride
CID 122191363
N-[(3S)-1-acetylpiperidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
CID 125444421
N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1H-imidazole-4-carboxamide
CID 138035464
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 164642020

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one (CID 74231333) is 1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one is Cc1[nH]cnc1CN1CCCC(N2CCCC2=O)C1.
What is the InChIKey of 1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is AEMOALDFRVBRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-13(16-10-15-11)9-17-6-2-4-12(8-17)18-7-3-5-14(18)19/h10,12H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 74231333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).