1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one

C16H21ClN4O2 — CID 136560527

IUPAC1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
SMILESCNc1ccc(C(=O)N2CCCC(N3CCNC3=O)C2)c(Cl)c1
InChIInChI=1S/C16H21ClN4O2/c1-18-11-4-5-13(14(17)9-11)15(22)20-7-2-3-12(10-20)21-8-6-19-16(21)23/h4-5,9,12,18H,2-3,6-8,10H2,1H3,(H,19,23)
InChIKeyZJPBDJZYZIEQLP-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.01
Rot. Bonds3

About 1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 136560527) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID136560527
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
SMILESCNc1ccc(C(=O)N2CCCC(N3CCNC3=O)C2)c(Cl)c1
InChIInChI=1S/C16H21ClN4O2/c1-18-11-4-5-13(14(17)9-11)15(22)20-7-2-3-12(10-20)21-8-6-19-16(21)23/h4-5,9,12,18H,2-3,6-8,10H2,1H3,(H,19,23)
InChIKeyZJPBDJZYZIEQLP-UHFFFAOYSA-N
XLogP2.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 95591065
3-[3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71936111
1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
CID 84594683
(3R)-3-(2-oxoimidazolidin-1-yl)-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 97262496
1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one
CID 132970084
1-[3-[2-chloro-4-(methylamino)benzoyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-(2-fluoro-1-methylcyclopropyl)ethanone
CID 167779142
1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119493962
1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 95585674
(3R)-N-benzyl-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 95047911
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 63154830
1-[1-(4-methoxy-3-phenylbenzoyl)piperidin-3-yl]imidazolidin-2-one
CID 138998320
tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114407

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one (CID 136560527) is 1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one is CNc1ccc(C(=O)N2CCCC(N3CCNC3=O)C2)c(Cl)c1.
What is the InChIKey of 1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is ZJPBDJZYZIEQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-18-11-4-5-13(14(17)9-11)15(22)20-7-2-3-12(10-20)21-8-6-19-16(21)23/h4-5,9,12,18H,2-3,6-8,10H2,1H3,(H,19,23).
What are the key properties of 1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 336.82 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 136560527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).