3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one

C16H21N3O — CID 134792170

IUPAC3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESCc1ccc(CN2CCC(n3cc[nH]c3=O)CC2)cc1
InChIInChI=1S/C16H21N3O/c1-13-2-4-14(5-3-13)12-18-9-6-15(7-10-18)19-11-8-17-16(19)20/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,17,20)
InChIKeyXRWOPTRJDCHGHD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.32
Rot. Bonds3

About 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one

3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 134792170) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
PubChem CID134792170
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESCc1ccc(CN2CCC(n3cc[nH]c3=O)CC2)cc1
InChIInChI=1S/C16H21N3O/c1-13-2-4-14(5-3-13)12-18-9-6-15(7-10-18)19-11-8-17-16(19)20/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,17,20)
InChIKeyXRWOPTRJDCHGHD-UHFFFAOYSA-N
XLogP2.32
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
1-(1-Benzyl-piperidin-4-yl)-3,5-dimethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10594764
1-(1-Benzyl-piperidin-4-yl)-3-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10783874
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one (CID 134792170) is 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one is Cc1ccc(CN2CCC(n3cc[nH]c3=O)CC2)cc1.
What is the InChIKey of 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is XRWOPTRJDCHGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-2-4-14(5-3-13)12-18-9-6-15(7-10-18)19-11-8-17-16(19)20/h2-5,8,11,15H,6-7,9-10,12H2,1H3,(H,17,20).
What are the key properties of 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one?
3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 134792170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).