(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide

C15H21N3O3 — CID 124606170

IUPAC(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
SMILESCO[C@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2C)C1
InChIInChI=1S/C15H21N3O3/c1-10-5-6-11(14(16)19)8-13(10)17-15(20)18-7-3-4-12(9-18)21-2/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,16,19)(H,17,20)/t12-/m0/s1
InChIKeyMRFYGPVGAZBLAU-LBPRGKRZSA-N
MW291.35 g/mol
LogP1.74
Rot. Bonds3

About (3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide

(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide (PubChem CID 124606170) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
PubChem CID124606170
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
SMILESCO[C@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2C)C1
InChIInChI=1S/C15H21N3O3/c1-10-5-6-11(14(16)19)8-13(10)17-15(20)18-7-3-4-12(9-18)21-2/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,16,19)(H,17,20)/t12-/m0/s1
InChIKeyMRFYGPVGAZBLAU-LBPRGKRZSA-N
XLogP1.74
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
CID 125176909
N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 146132314
N-(4-fluoro-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118763399
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide
CID 99580240
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 94161618
methyl 4-methyl-3-[[3-(methylsulfanylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 72889185
N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
CID 74244825
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658
1-[(5-methoxycarbonyl-2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074107

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide (CID 124606170) is (3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide is CO[C@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2C)C1.
What is the InChIKey of (3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide?
The InChIKey is MRFYGPVGAZBLAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-5-6-11(14(16)19)8-13(10)17-15(20)18-7-3-4-12(9-18)21-2/h5-6,8,12H,3-4,7,9H2,1-2H3,(H2,16,19)(H,17,20)/t12-/m0/s1.
What are the key properties of (3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide?
(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 124606170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).