(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

C21H23N3O4 — CID 55634436

IUPAC(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESNC(=O)c1cccc(COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C21H23N3O4/c22-19(25)16-7-4-6-15(12-16)14-28-20(26)17-8-5-11-24(13-17)21(27)23-18-9-2-1-3-10-18/h1-4,6-7,9-10,12,17H,5,8,11,13-14H2,(H2,22,25)(H,23,27)
InChIKeyPIPKUZICVWYBFE-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.77
Rot. Bonds5

About (3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate

(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (PubChem CID 55634436) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
PubChem CID55634436
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESNC(=O)c1cccc(COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C21H23N3O4/c22-19(25)16-7-4-6-15(12-16)14-28-20(26)17-8-5-11-24(13-17)21(27)23-18-9-2-1-3-10-18/h1-4,6-7,9-10,12,17H,5,8,11,13-14H2,(H2,22,25)(H,23,27)
InChIKeyPIPKUZICVWYBFE-UHFFFAOYSA-N
XLogP2.77
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426064
(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
CID 32578740
(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 47013955
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
(1-cyclopropyltetrazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55552818
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] (3R)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95351124
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426124
[3-(trifluoromethyl)phenyl]methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320533
ethyl 1-[N-[(3-carbamoylphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110993425
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426324
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426090

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of (3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate (CID 55634436) is (3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for (3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for (3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is NC(=O)c1cccc(COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of (3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is PIPKUZICVWYBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c22-19(25)16-7-4-6-15(12-16)14-28-20(26)17-8-5-11-24(13-17)21(27)23-18-9-2-1-3-10-18/h1-4,6-7,9-10,12,17H,5,8,11,13-14H2,(H2,22,25)(H,23,27).
What are the key properties of (3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate?
(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 55634436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).