(3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide

C22H27N3O3 — CID 125176902

IUPAC(3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)N2CCC[C@@H](c3ccccc3C)C2)c1
InChIInChI=1S/C22H27N3O3/c1-16-7-3-4-11-20(16)17-8-6-12-25(14-17)22(27)24-19-10-5-9-18(13-19)23-21(26)15-28-2/h3-5,7,9-11,13,17H,6,8,12,14-15H2,1-2H3,(H,23,26)(H,24,27)/t17-/m1/s1
InChIKeyPEQWOMQGQHJWTL-QGZVFWFLSA-N
MW381.48 g/mol
LogP3.99
Rot. Bonds5

About (3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide

(3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide (PubChem CID 125176902) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide
PubChem CID125176902
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)N2CCC[C@@H](c3ccccc3C)C2)c1
InChIInChI=1S/C22H27N3O3/c1-16-7-3-4-11-20(16)17-8-6-12-25(14-17)22(27)24-19-10-5-9-18(13-19)23-21(26)15-28-2/h3-5,7,9-11,13,17H,6,8,12,14-15H2,1-2H3,(H,23,26)(H,24,27)/t17-/m1/s1
InChIKeyPEQWOMQGQHJWTL-QGZVFWFLSA-N
XLogP3.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide
CID 125176898
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167995
(3R)-N-(2-methoxy-2-methylpropyl)-3-(2-methylphenyl)piperidine-1-carboxamide
CID 126431344
(3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 97436643
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
1-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076825
2-methoxy-N-[3-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532685
2-methoxy-N-[3-[(2-methylcyclohexyl)amino]phenyl]acetamide
CID 43713084
2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532684
2-methoxy-N-[3-[[2-[(1S,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532683
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide (CID 125176902) is (3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide is COCC(=O)Nc1cccc(NC(=O)N2CCC[C@@H](c3ccccc3C)C2)c1.
What is the InChIKey of (3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is PEQWOMQGQHJWTL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-7-3-4-11-20(16)17-8-6-12-25(14-17)22(27)24-19-10-5-9-18(13-19)23-21(26)15-28-2/h3-5,7,9-11,13,17H,6,8,12,14-15H2,1-2H3,(H,23,26)(H,24,27)/t17-/m1/s1.
What are the key properties of (3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide?
(3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 125176902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).