[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone

C23H29N3O — CID 90728867

IUPAC[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(NCC2CCCC2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O/c27-23(26-16-14-25(15-17-26)22-8-2-1-3-9-22)20-10-12-21(13-11-20)24-18-19-6-4-5-7-19/h1-3,8-13,19,24H,4-7,14-18H2
InChIKeyKERYNUHLGOSSPI-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.25
Rot. Bonds5

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

[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 90728867) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is [4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID90728867
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(NCC2CCCC2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O/c27-23(26-16-14-25(15-17-26)22-8-2-1-3-9-22)20-10-12-21(13-11-20)24-18-19-6-4-5-7-19/h1-3,8-13,19,24H,4-7,14-18H2
InChIKeyKERYNUHLGOSSPI-UHFFFAOYSA-N
XLogP4.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclobutylmethylamino)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 132970853
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 15999586
[4-(naphthalen-2-ylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 91187389
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone
CID 167174450
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
N-benzoyl-4-(cyclohexylmethylamino)benzamide
CID 13273362

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 90728867) is [4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(NCC2CCCC2)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is KERYNUHLGOSSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(26-16-14-25(15-17-26)22-8-2-1-3-9-22)20-10-12-21(13-11-20)24-18-19-6-4-5-7-19/h1-3,8-13,19,24H,4-7,14-18H2.
What are the key properties of [4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 363.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 90728867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).