1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide

C19H26FN3O2 — CID 97055835

IUPAC1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1
InChIInChI=1S/C19H26FN3O2/c20-16-8-4-3-7-15(16)17(13-5-1-2-6-13)22-19(25)23-11-9-14(10-12-23)18(21)24/h3-4,7-8,13-14,17H,1-2,5-6,9-12H2,(H2,21,24)(H,22,25)/t17-/m0/s1
InChIKeyAALZHAXOWVHIMZ-KRWDZBQOSA-N
MW347.43 g/mol
LogP2.96
Rot. Bonds4

About 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide

1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 97055835) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID97055835
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1
InChIInChI=1S/C19H26FN3O2/c20-16-8-4-3-7-15(16)17(13-5-1-2-6-13)22-19(25)23-11-9-14(10-12-23)18(21)24/h3-4,7-8,13-14,17H,1-2,5-6,9-12H2,(H2,21,24)(H,22,25)/t17-/m0/s1
InChIKeyAALZHAXOWVHIMZ-KRWDZBQOSA-N
XLogP2.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 94175624
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
1-[[cyclopentyl-(2-fluorophenyl)methyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122005991
1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea
CID 170579179
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
CID 122006228
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232

Frequently Asked Questions

What is the IUPAC name of 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide (CID 97055835) is 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1.
What is the InChIKey of 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is AALZHAXOWVHIMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-8-4-3-7-15(16)17(13-5-1-2-6-13)22-19(25)23-11-9-14(10-12-23)18(21)24/h3-4,7-8,13-14,17H,1-2,5-6,9-12H2,(H2,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide?
1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 97055835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).