(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide

C15H21FN2O2 — CID 81124863

IUPAC(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)[C@H]2CCCNC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10(11-5-6-14(20-2)13(16)8-11)18-15(19)12-4-3-7-17-9-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3,(H,18,19)/t10?,12-/m0/s1
InChIKeyZUUFALOAPSJLEB-KFJBMODSSA-N
MW280.34 g/mol
LogP2.01
Rot. Bonds4

About (3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide

(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 81124863) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID81124863
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)[C@H]2CCCNC2)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10(11-5-6-14(20-2)13(16)8-11)18-15(19)12-4-3-7-17-9-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3,(H,18,19)/t10?,12-/m0/s1
InChIKeyZUUFALOAPSJLEB-KFJBMODSSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119287644
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288240
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119721176
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 81124863) is (3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide is COc1ccc(C(C)NC(=O)[C@H]2CCCNC2)cc1F.
What is the InChIKey of (3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is ZUUFALOAPSJLEB-KFJBMODSSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(11-5-6-14(20-2)13(16)8-11)18-15(19)12-4-3-7-17-9-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3,(H,18,19)/t10?,12-/m0/s1.
What are the key properties of (3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide?
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81124863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).