(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

C16H21FN2O — CID 81128664

IUPAC(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C([C@H]1CCCNC1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H21FN2O/c17-14-5-1-3-12(9-14)11-19(15-6-7-15)16(20)13-4-2-8-18-10-13/h1,3,5,9,13,15,18H,2,4,6-8,10-11H2/t13-/m0/s1
InChIKeyCUSMMJWKSOOOJO-ZDUSSCGKSA-N
MW276.35 g/mol
LogP2.32
Rot. Bonds4

About (3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 81128664) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID81128664
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C([C@H]1CCCNC1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H21FN2O/c17-14-5-1-3-12(9-14)11-19(15-6-7-15)16(20)13-4-2-8-18-10-13/h1,3,5,9,13,15,18H,2,4,6-8,10-11H2/t13-/m0/s1
InChIKeyCUSMMJWKSOOOJO-ZDUSSCGKSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886
N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119821577
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide
CID 106628805
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 81140928
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide (CID 81128664) is (3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is O=C([C@H]1CCCNC1)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of (3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CUSMMJWKSOOOJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-14-5-1-3-12(9-14)11-19(15-6-7-15)16(20)13-4-2-8-18-10-13/h1,3,5,9,13,15,18H,2,4,6-8,10-11H2/t13-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 276.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81128664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).