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

C17H25ClN4O2 — CID 119488113

IUPAC1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
SMILESCNC1CCCN(C(=O)c2cccc(N3CCNC3=O)c2C)C1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-12-14(16(22)20-9-4-5-13(11-20)18-2)6-3-7-15(12)21-10-8-19-17(21)23;/h3,6-7,13,18H,4-5,8-11H2,1-2H3,(H,19,23);1H
InChIKeySLJIGZMXFUCHNV-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.77
Rot. Bonds3

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

1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride (PubChem CID 119488113) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
PubChem CID119488113
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
SMILESCNC1CCCN(C(=O)c2cccc(N3CCNC3=O)c2C)C1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-12-14(16(22)20-9-4-5-13(11-20)18-2)6-3-7-15(12)21-10-8-19-17(21)23;/h3,6-7,13,18H,4-5,8-11H2,1-2H3,(H,19,23);1H
InChIKeySLJIGZMXFUCHNV-UHFFFAOYSA-N
XLogP1.77
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
1-[4-chloro-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 119493962
1-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 119490960
1-[3-[3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 154749269
[3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82827096
8-[3-(methylamino)piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 119490561
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 81265224
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
8-bromo-4-[3-(methylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119493998
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119491725

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride (CID 119488113) is 1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride is CNC1CCCN(C(=O)c2cccc(N3CCNC3=O)c2C)C1.Cl.
What is the InChIKey of 1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is SLJIGZMXFUCHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-12-14(16(22)20-9-4-5-13(11-20)18-2)6-3-7-15(12)21-10-8-19-17(21)23;/h3,6-7,13,18H,4-5,8-11H2,1-2H3,(H,19,23);1H.
What are the key properties of 1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride?
1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-[3-(methylamino)piperidine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 119488113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).