3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide

C20H28FN3O2 — CID 53138057

IUPAC3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(CCC1CCCN(C(=O)Nc2ccc(F)cc2)C1)NC1CCCC1
InChIInChI=1S/C20H28FN3O2/c21-16-8-10-18(11-9-16)23-20(26)24-13-3-4-15(14-24)7-12-19(25)22-17-5-1-2-6-17/h8-11,15,17H,1-7,12-14H2,(H,22,25)(H,23,26)
InChIKeyXLLWTTFLGYXMED-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.91
Rot. Bonds5

About 3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide

3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 53138057) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID53138057
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(CCC1CCCN(C(=O)Nc2ccc(F)cc2)C1)NC1CCCC1
InChIInChI=1S/C20H28FN3O2/c21-16-8-10-18(11-9-16)23-20(26)24-13-3-4-15(14-24)7-12-19(25)22-17-5-1-2-6-17/h8-11,15,17H,1-7,12-14H2,(H,22,25)(H,23,26)
InChIKeyXLLWTTFLGYXMED-UHFFFAOYSA-N
XLogP3.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(cycloheptylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 53138024
(3R)-3-[3-(cyclohexylamino)-3-oxopropyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 95094005
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3R)-3-[3-[[4-(dimethylamino)phenyl]methylamino]-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95093926
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
(3S)-3-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95093916
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 95094157

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 53138057) is 3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide is O=C(CCC1CCCN(C(=O)Nc2ccc(F)cc2)C1)NC1CCCC1.
What is the InChIKey of 3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is XLLWTTFLGYXMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c21-16-8-10-18(11-9-16)23-20(26)24-13-3-4-15(14-24)7-12-19(25)22-17-5-1-2-6-17/h8-11,15,17H,1-7,12-14H2,(H,22,25)(H,23,26).
What are the key properties of 3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 361.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53138057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).