[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C24H31N3O — CID 43920515

IUPAC[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccccc1CN1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C24H31N3O/c1-20-8-5-6-9-21(20)18-25-13-7-10-22(19-25)24(28)27-16-14-26(15-17-27)23-11-3-2-4-12-23/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3
InChIKeyJUADHOQWIUIPCT-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.56
Rot. Bonds4

About [1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 43920515) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is [1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID43920515
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccccc1CN1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C24H31N3O/c1-20-8-5-6-9-21(20)18-25-13-7-10-22(19-25)24(28)27-16-14-26(15-17-27)23-11-3-2-4-12-23/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3
InChIKeyJUADHOQWIUIPCT-UHFFFAOYSA-N
XLogP3.56
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122040656
(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone
CID 165432913
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 43924118

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 43920515) is [1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccccc1CN1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JUADHOQWIUIPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-20-8-5-6-9-21(20)18-25-13-7-10-22(19-25)24(28)27-16-14-26(15-17-27)23-11-3-2-4-12-23/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3.
What are the key properties of [1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 377.53 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 43920515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).