[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone

C23H32N4O — CID 126780167

IUPAC[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
SMILESCn1ccnc1CN1CCC(C(=O)N2CCCC(C)(c3ccccc3)C2)CC1
InChIInChI=1S/C23H32N4O/c1-23(20-7-4-3-5-8-20)11-6-13-27(18-23)22(28)19-9-14-26(15-10-19)17-21-24-12-16-25(21)2/h3-5,7-8,12,16,19H,6,9-11,13-15,17-18H2,1-2H3
InChIKeyFXHFEADHSNODTJ-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.21
Rot. Bonds4

About [1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone

[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone (PubChem CID 126780167) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is [1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
PubChem CID126780167
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
SMILESCn1ccnc1CN1CCC(C(=O)N2CCCC(C)(c3ccccc3)C2)CC1
InChIInChI=1S/C23H32N4O/c1-23(20-7-4-3-5-8-20)11-6-13-27(18-23)22(28)19-9-14-26(15-10-19)17-21-24-12-16-25(21)2/h3-5,7-8,12,16,19H,6,9-11,13-15,17-18H2,1-2H3
InChIKeyFXHFEADHSNODTJ-UHFFFAOYSA-N
XLogP3.21
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
(4-benzylsulfonylpiperazin-1-yl)-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 112838699
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
(4-methoxyphenyl)-[1-[1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 112840004
2-[3-[(1-methylimidazol-2-yl)methyl]-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 97451310
(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-methyl-3-phenylpiperidin-1-yl)methanone;hydrochloride
CID 120989837
(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 126807140
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 45019436
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboxamide
CID 122569694
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97138813
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339
8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56892074

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone?
The IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone (CID 126780167) is [1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone is Cn1ccnc1CN1CCC(C(=O)N2CCCC(C)(c3ccccc3)C2)CC1.
What is the InChIKey of [1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone?
The InChIKey is FXHFEADHSNODTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-23(20-7-4-3-5-8-20)11-6-13-27(18-23)22(28)19-9-14-26(15-10-19)17-21-24-12-16-25(21)2/h3-5,7-8,12,16,19H,6,9-11,13-15,17-18H2,1-2H3.
What are the key properties of [1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone?
[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone has a molecular weight of 380.54 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 126780167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).