[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C21H26N4O — CID 109166097

IUPAC[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(NC2CCCC2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N4O/c26-21(17-10-11-22-20(16-17)23-18-6-4-5-7-18)25-14-12-24(13-15-25)19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2,(H,22,23)
InChIKeyQRVPBAAOTMQAJM-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.40
Rot. Bonds4

About [2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109166097) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109166097
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccnc(NC2CCCC2)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N4O/c26-21(17-10-11-22-20(16-17)23-18-6-4-5-7-18)25-14-12-24(13-15-25)19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2,(H,22,23)
InChIKeyQRVPBAAOTMQAJM-UHFFFAOYSA-N
XLogP3.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109166108
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109052171
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
[2-(furan-2-ylmethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109169331
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-3-pyridinyl]methanone
CID 109152186
[2-(2-morpholin-4-ylethylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109168056
2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
[2-(cyclobutylamino)-4-pyridinyl]-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-2-yl)methanone
CID 146093993

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109166097) is [2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccnc(NC2CCCC2)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is QRVPBAAOTMQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(17-10-11-22-20(16-17)23-18-6-4-5-7-18)25-14-12-24(13-15-25)19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2,(H,22,23).
What are the key properties of [2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 350.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109166097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).