(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone

C24H31N3O — CID 1137062

IUPAC(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C24H31N3O/c1-20-11-13-27(14-12-20)24(28)22-9-7-21(8-10-22)19-25-15-17-26(18-16-25)23-5-3-2-4-6-23/h2-10,20H,11-19H2,1H3
InChIKeyDXQJCCBDEDJWOQ-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.88
Rot. Bonds4

About (4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone

(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone (PubChem CID 1137062) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
PubChem CID1137062
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C24H31N3O/c1-20-11-13-27(14-12-20)24(28)22-9-7-21(8-10-22)19-25-15-17-26(18-16-25)23-5-3-2-4-6-23/h2-10,20H,11-19H2,1H3
InChIKeyDXQJCCBDEDJWOQ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
1-(4-benzylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504526
methyl 1-[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 43908385
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 43920450
(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 17312948
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
(4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone
CID 53035343
[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 29262036
1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 172887332

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone (CID 1137062) is (4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone is CC1CCN(C(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone?
The InChIKey is DXQJCCBDEDJWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-20-11-13-27(14-12-20)24(28)22-9-7-21(8-10-22)19-25-15-17-26(18-16-25)23-5-3-2-4-6-23/h2-10,20H,11-19H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone?
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone has a molecular weight of 377.53 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 1137062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).