1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one

C17H24N4O3 — CID 124573528

IUPAC1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2CN)cc1N1CCNC1=O
InChIInChI=1S/C17H24N4O3/c1-24-15-6-5-12(10-14(15)21-9-7-19-17(21)23)16(22)20-8-3-2-4-13(20)11-18/h5-6,10,13H,2-4,7-9,11,18H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyPZECWQINUCRDOW-ZDUSSCGKSA-N
MW332.40 g/mol
LogP1.18
Rot. Bonds4

About 1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one

1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one (PubChem CID 124573528) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one
PubChem CID124573528
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2CN)cc1N1CCNC1=O
InChIInChI=1S/C17H24N4O3/c1-24-15-6-5-12(10-14(15)21-9-7-19-17(21)23)16(22)20-8-3-2-4-13(20)11-18/h5-6,10,13H,2-4,7-9,11,18H2,1H3,(H,19,23)/t13-/m0/s1
InChIKeyPZECWQINUCRDOW-ZDUSSCGKSA-N
XLogP1.18
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
[2-(aminomethyl)piperidin-1-yl]-(4-cyclopentyloxy-3-methoxyphenyl)methanone;hydrochloride
CID 119467821
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
CID 122147915
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-methoxy-3-phenylphenyl)methanone
CID 124688652
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119468928
(4-amino-3-methoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 104782453
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
[2-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone;hydrochloride
CID 119467805
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone
CID 119632890

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one (CID 124573528) is 1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one is COc1ccc(C(=O)N2CCCC[C@H]2CN)cc1N1CCNC1=O.
What is the InChIKey of 1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one?
The InChIKey is PZECWQINUCRDOW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-24-15-6-5-12(10-14(15)21-9-7-19-17(21)23)16(22)20-8-3-2-4-13(20)11-18/h5-6,10,13H,2-4,7-9,11,18H2,1H3,(H,19,23)/t13-/m0/s1.
What are the key properties of 1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one?
1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2S)-2-(aminomethyl)piperidine-1-carbonyl]-2-methoxyphenyl]imidazolidin-2-one is sourced from PubChem (CID 124573528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).