(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone

C27H36N4O — CID 23130829

IUPAC(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1N1CCC(N2CCCCC2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H36N4O/c32-27(31-21-19-29(20-22-31)23-9-3-1-4-10-23)25-11-5-6-12-26(25)30-17-13-24(14-18-30)28-15-7-2-8-16-28/h1,3-6,9-12,24H,2,7-8,13-22H2
InChIKeyIQZQGVOAGVAHNB-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.10
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone

(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone (PubChem CID 23130829) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone
PubChem CID23130829
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1N1CCC(N2CCCCC2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H36N4O/c32-27(31-21-19-29(20-22-31)23-9-3-1-4-10-23)25-11-5-6-12-26(25)30-17-13-24(14-18-30)28-15-7-2-8-16-28/h1,3-6,9-12,24H,2,7-8,13-22H2
InChIKeyIQZQGVOAGVAHNB-UHFFFAOYSA-N
XLogP4.10
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
[3-(3,4-difluorophenyl)pyrrolidin-1-yl]-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone
CID 23130838
2-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 28802166
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
1-[2-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]piperidine-3-carboxylic acid
CID 67620401
(2-pyrrolidin-1-ylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 68839610
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
1-cycloheptyl-4-phenylpiperazine
CID 2846720
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517823
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone (CID 23130829) is (4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone is O=C(c1ccccc1N1CCC(N2CCCCC2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone?
The InChIKey is IQZQGVOAGVAHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c32-27(31-21-19-29(20-22-31)23-9-3-1-4-10-23)25-11-5-6-12-26(25)30-17-13-24(14-18-30)28-15-7-2-8-16-28/h1,3-6,9-12,24H,2,7-8,13-22H2.
What are the key properties of (4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone?
(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone has a molecular weight of 432.61 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone is sourced from PubChem (CID 23130829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).