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

C15H21N3O3 — CID 103809015

IUPAC(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C15H21N3O3/c1-16-14(19)10-21-12-6-4-5-11(9-12)18-15(20)13-7-2-3-8-17-13/h4-6,9,13,17H,2-3,7-8,10H2,1H3,(H,16,19)(H,18,20)/t13-/m1/s1
InChIKeyZNHMKGKVIJMVIZ-CYBMUJFWSA-N
MW291.35 g/mol
LogP0.89
Rot. Bonds5

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

(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide (PubChem CID 103809015) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
PubChem CID103809015
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C15H21N3O3/c1-16-14(19)10-21-12-6-4-5-11(9-12)18-15(20)13-7-2-3-8-17-13/h4-6,9,13,17H,2-3,7-8,10H2,1H3,(H,16,19)(H,18,20)/t13-/m1/s1
InChIKeyZNHMKGKVIJMVIZ-CYBMUJFWSA-N
XLogP0.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
N-[3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 60927108
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
N-[3-(2-methylsulfonylethoxy)phenyl]piperidine-2-carboxamide
CID 119312153
N-[3-(pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 119846086
N-(3-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 82044662
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide (CID 103809015) is (2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide is CNC(=O)COc1cccc(NC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of (2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide?
The InChIKey is ZNHMKGKVIJMVIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-14(19)10-21-12-6-4-5-11(9-12)18-15(20)13-7-2-3-8-17-13/h4-6,9,13,17H,2-3,7-8,10H2,1H3,(H,16,19)(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide?
(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 103809015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).