(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide

C14H20N2O2 — CID 103808988

IUPAC(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
SMILESCOCc1cccc(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-18-10-11-5-4-6-12(9-11)16-14(17)13-7-2-3-8-15-13/h4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyKYCKERUTGHCHKH-CYBMUJFWSA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds4

About (2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide

(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide (PubChem CID 103808988) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
PubChem CID103808988
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
SMILESCOCc1cccc(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C14H20N2O2/c1-18-10-11-5-4-6-12(9-11)16-14(17)13-7-2-3-8-15-13/h4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyKYCKERUTGHCHKH-CYBMUJFWSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
CID 119327470
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-[3-(benzylsulfinylmethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119327157
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide (CID 103808988) is (2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide is COCc1cccc(NC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of (2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is KYCKERUTGHCHKH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-10-11-5-4-6-12(9-11)16-14(17)13-7-2-3-8-15-13/h4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide?
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 103808988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).