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

C21H25FN4O — CID 109166108

IUPAC[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccnc(NC2CCCC2)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN4O/c22-18-7-3-4-8-19(18)25-11-13-26(14-12-25)21(27)16-9-10-23-20(15-16)24-17-5-1-2-6-17/h3-4,7-10,15,17H,1-2,5-6,11-14H2,(H,23,24)
InChIKeyLXQJLUGHLPHPBK-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.54
Rot. Bonds4

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

[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109166108) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is [2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109166108
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccnc(NC2CCCC2)c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H25FN4O/c22-18-7-3-4-8-19(18)25-11-13-26(14-12-25)21(27)16-9-10-23-20(15-16)24-17-5-1-2-6-17/h3-4,7-10,15,17H,1-2,5-6,11-14H2,(H,23,24)
InChIKeyLXQJLUGHLPHPBK-UHFFFAOYSA-N
XLogP3.54
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109166097
[2-(tert-butylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109174462
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methylanilino)-4-pyridinyl]methanone
CID 109174472
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109112866
[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109274875
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109183120
[4-(cyclopropylamino)-3-nitrophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 26590612
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109082360
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 109166108) is [2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccnc(NC2CCCC2)c1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is LXQJLUGHLPHPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-18-7-3-4-8-19(18)25-11-13-26(14-12-25)21(27)16-9-10-23-20(15-16)24-17-5-1-2-6-17/h3-4,7-10,15,17H,1-2,5-6,11-14H2,(H,23,24).
What are the key properties of [2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 3.54, 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-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109166108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).