[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone

C25H31FN2O — CID 177369510

IUPAC[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
SMILESCc1cccc(F)c1C(=O)N1CCCC(C)C1c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C25H31FN2O/c1-17-7-5-11-22(26)23(17)25(29)28-16-6-8-18(2)24(28)19-12-14-21(15-13-19)27-20-9-3-4-10-20/h5,7,11-15,18,20,24,27H,3-4,6,8-10,16H2,1-2H3
InChIKeyGEPVZOIRYPQRRW-UHFFFAOYSA-N
MW394.53 g/mol
LogP6.10
Rot. Bonds4

About [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone

[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone (PubChem CID 177369510) has the molecular formula C25H31FN2O and a molecular weight of 394.53 g/mol. Its IUPAC name is [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
PubChem CID177369510
Molecular FormulaC25H31FN2O
Molecular Weight394.53 g/mol
Exact Mass394.24
IUPAC Name[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone
SMILESCc1cccc(F)c1C(=O)N1CCCC(C)C1c1ccc(NC2CCCC2)cc1
InChIInChI=1S/C25H31FN2O/c1-17-7-5-11-22(26)23(17)25(29)28-16-6-8-18(2)24(28)19-12-14-21(15-13-19)27-20-9-3-4-10-20/h5,7,11-15,18,20,24,27H,3-4,6,8-10,16H2,1-2H3
InChIKeyGEPVZOIRYPQRRW-UHFFFAOYSA-N
XLogP6.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The IUPAC name of [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone (CID 177369510) is [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone.
What is the SMILES notation for [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The canonical SMILES for [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone is Cc1cccc(F)c1C(=O)N1CCCC(C)C1c1ccc(NC2CCCC2)cc1.
What is the InChIKey of [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
The InChIKey is GEPVZOIRYPQRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O/c1-17-7-5-11-22(26)23(17)25(29)28-16-6-8-18(2)24(28)19-12-14-21(15-13-19)27-20-9-3-4-10-20/h5,7,11-15,18,20,24,27H,3-4,6,8-10,16H2,1-2H3.
What are the key properties of [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone?
[2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone has a molecular weight of 394.53 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclopentylamino)phenyl]-3-methylpiperidin-1-yl]-(2-fluoro-6-methylphenyl)methanone is sourced from PubChem (CID 177369510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).