(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide

C16H23FN2O — CID 95138806

IUPAC(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C16H23FN2O/c1-2-8-18-16(20)14-6-4-9-19(12-14)11-13-5-3-7-15(17)10-13/h3,5,7,10,14H,2,4,6,8-9,11-12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyDOTFKDGMWLAAAI-AWEZNQCLSA-N
MW278.37 g/mol
LogP2.56
Rot. Bonds5

About (3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide

(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide (PubChem CID 95138806) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
PubChem CID95138806
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C16H23FN2O/c1-2-8-18-16(20)14-6-4-9-19(12-14)11-13-5-3-7-15(17)10-13/h3,5,7,10,14H,2,4,6,8-9,11-12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyDOTFKDGMWLAAAI-AWEZNQCLSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42962168
1-[(3-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119448544
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
N-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 49441141
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119588247
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47802432
1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56523512

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide (CID 95138806) is (3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of (3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is DOTFKDGMWLAAAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-8-18-16(20)14-6-4-9-19(12-14)11-13-5-3-7-15(17)10-13/h3,5,7,10,14H,2,4,6,8-9,11-12H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide?
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 95138806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).