1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one

C16H22N4O2 — CID 119490960

IUPAC1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCNC1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1
InChIInChI=1S/C16H22N4O2/c1-17-13-3-2-9-19(11-13)15(21)12-4-6-14(7-5-12)20-10-8-18-16(20)22/h4-7,13,17H,2-3,8-11H2,1H3,(H,18,22)
InChIKeyOQUMDUIYHHTZII-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.04
Rot. Bonds3

About 1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 119490960) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID119490960
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCNC1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1
InChIInChI=1S/C16H22N4O2/c1-17-13-3-2-9-19(11-13)15(21)12-4-6-14(7-5-12)20-10-8-18-16(20)22/h4-7,13,17H,2-3,8-11H2,1H3,(H,18,22)
InChIKeyOQUMDUIYHHTZII-UHFFFAOYSA-N
XLogP1.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119493962
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119488113
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
[3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 119493758
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
1-[4-(4,4-difluoro-3-methylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one
CID 136543686
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 119490960) is 1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one is CNC1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1.
What is the InChIKey of 1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is OQUMDUIYHHTZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-17-13-3-2-9-19(11-13)15(21)12-4-6-14(7-5-12)20-10-8-18-16(20)22/h4-7,13,17H,2-3,8-11H2,1H3,(H,18,22).
What are the key properties of 1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 119490960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).