N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide

C15H21N3O3 — CID 107067417

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C15H21N3O3/c1-10-4-3-7-17-14(10)15(20)18-11-5-2-6-12(8-11)21-9-13(16)19/h2,5-6,8,10,14,17H,3-4,7,9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyNISOTNQRPLAKNN-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.88
Rot. Bonds5

About N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide (PubChem CID 107067417) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide
PubChem CID107067417
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1cccc(OCC(N)=O)c1
InChIInChI=1S/C15H21N3O3/c1-10-4-3-7-17-14(10)15(20)18-11-5-2-6-12(8-11)21-9-13(16)19/h2,5-6,8,10,14,17H,3-4,7,9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyNISOTNQRPLAKNN-UHFFFAOYSA-N
XLogP0.88
TPSA93.45 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 ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279
2-[3-(pyrrolidine-2-carbonylamino)phenoxy]acetic acid
CID 55243432
2-[3-[[(2S)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 55243430
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 64824522
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
(2S)-N-(3-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 61179058
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43054004
(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
CID 103809015
N-[3-(2-amino-2-oxoethoxy)phenyl]-6-oxopiperidine-3-carboxamide
CID 112728765
N-(3-ethoxyphenyl)-2-(3-methylpiperidin-2-yl)acetamide
CID 107147673
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119702079

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide (CID 107067417) is N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1cccc(OCC(N)=O)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide?
The InChIKey is NISOTNQRPLAKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-3-7-17-14(10)15(20)18-11-5-2-6-12(8-11)21-9-13(16)19/h2,5-6,8,10,14,17H,3-4,7,9H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).