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

C16H22Cl2N4O2 — CID 119493962

IUPAC1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1.Cl
InChIInChI=1S/C16H21ClN4O2.ClH/c1-18-11-3-2-7-20(10-11)15(22)13-9-12(4-5-14(13)17)21-8-6-19-16(21)23;/h4-5,9,11,18H,2-3,6-8,10H2,1H3,(H,19,23);1H
InChIKeyCYSNYWIURPQUNO-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.12
Rot. Bonds3

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

1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride (PubChem CID 119493962) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
PubChem CID119493962
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC Name1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1.Cl
InChIInChI=1S/C16H21ClN4O2.ClH/c1-18-11-3-2-7-20(10-11)15(22)13-9-12(4-5-14(13)17)21-8-6-19-16(21)23;/h4-5,9,11,18H,2-3,6-8,10H2,1H3,(H,19,23);1H
InChIKeyCYSNYWIURPQUNO-UHFFFAOYSA-N
XLogP2.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]imidazolidin-2-one
CID 119381905
1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 119490960
1-[4-chloro-3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119542484
1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119488113
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one
CID 119487350
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489697
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]imidazolidin-2-one;hydrochloride
CID 120744003
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride (CID 119493962) is 1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride is CNC1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1.Cl.
What is the InChIKey of 1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is CYSNYWIURPQUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2.ClH/c1-18-11-3-2-7-20(10-11)15(22)13-9-12(4-5-14(13)17)21-8-6-19-16(21)23;/h4-5,9,11,18H,2-3,6-8,10H2,1H3,(H,19,23);1H.
What are the key properties of 1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 373.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 119493962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).