N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide

C21H29FN2O2 — CID 110249120

IUPACN-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCCN(C(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C21H29FN2O2/c1-21(20(26)23-18-5-2-3-6-18)13-4-14-24(15-21)19(25)12-9-16-7-10-17(22)11-8-16/h7-8,10-11,18H,2-6,9,12-15H2,1H3,(H,23,26)
InChIKeyMSOSBWDOKAACLE-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.45
Rot. Bonds5

About N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide

N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide (PubChem CID 110249120) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide
PubChem CID110249120
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC NameN-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCCN(C(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C21H29FN2O2/c1-21(20(26)23-18-5-2-3-6-18)13-4-14-24(15-21)19(25)12-9-16-7-10-17(22)11-8-16/h7-8,10-11,18H,2-6,9,12-15H2,1H3,(H,23,26)
InChIKeyMSOSBWDOKAACLE-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3R)-1-[3-(4-fluorophenyl)propanoyl]-3-methylpyrrolidine-3-carboxylate
CID 97022319
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
1-[3-(4-aminophenyl)propanoyl]-3-methylpiperidine-3-carboxylic acid
CID 115341439
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[4-(4-fluorophenyl)butanoyl]-3-methylpiperidine-3-carboxamide
CID 171688151
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
CID 173093781
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 97156965
(3R)-N-[(4-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087491
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
(3R)-1-[3-(4-methoxyphenyl)propanoyl]-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087535

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide (CID 110249120) is N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide is CC1(C(=O)NC2CCCC2)CCCN(C(=O)CCc2ccc(F)cc2)C1.
What is the InChIKey of N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is MSOSBWDOKAACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-21(20(26)23-18-5-2-3-6-18)13-4-14-24(15-21)19(25)12-9-16-7-10-17(22)11-8-16/h7-8,10-11,18H,2-6,9,12-15H2,1H3,(H,23,26).
What are the key properties of N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide?
N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 360.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 110249120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).