(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide

C14H20N2O2 — CID 81123662

IUPAC(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
SMILESCOCc1cccc(NC(=O)[C@H]2CCCNC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-10-11-4-2-6-13(8-11)16-14(17)12-5-3-7-15-9-12/h2,4,6,8,12,15H,3,5,7,9-10H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyHBVKPMIJKGJSDN-LBPRGKRZSA-N
MW248.33 g/mol
LogP1.77
Rot. Bonds4

About (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide

(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide (PubChem CID 81123662) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
PubChem CID81123662
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
SMILESCOCc1cccc(NC(=O)[C@H]2CCCNC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-10-11-4-2-6-13(8-11)16-14(17)12-5-3-7-15-9-12/h2,4,6,8,12,15H,3,5,7,9-10H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyHBVKPMIJKGJSDN-LBPRGKRZSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide 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

N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
methyl 2-[[3-(piperidine-3-carbonylamino)phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318862
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119753972
N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
CID 119320769
N-[3-(tert-butylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327256
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754328

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide (CID 81123662) is (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide is COCc1cccc(NC(=O)[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is HBVKPMIJKGJSDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-10-11-4-2-6-13(8-11)16-14(17)12-5-3-7-15-9-12/h2,4,6,8,12,15H,3,5,7,9-10H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide?
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81123662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).