methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate

C15H19N3O4 — CID 110754209

IUPACmethyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H19N3O4/c1-22-15(21)18-8-6-11(7-9-18)14(20)17-12-4-2-10(3-5-12)13(16)19/h2-5,11H,6-9H2,1H3,(H2,16,19)(H,17,20)
InChIKeyNRYSXMSJEKBVNA-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.20
Rot. Bonds3

About methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate

methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 110754209) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID110754209
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H19N3O4/c1-22-15(21)18-8-6-11(7-9-18)14(20)17-12-4-2-10(3-5-12)13(16)19/h2-5,11H,6-9H2,1H3,(H2,16,19)(H,17,20)
InChIKeyNRYSXMSJEKBVNA-UHFFFAOYSA-N
XLogP1.20
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126029026
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
CID 9207172
ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 41491893
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
N-(4-carbamoylphenyl)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910253
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
ethyl 1-[[4-[(1-ethoxycarbonylpiperidine-4-carbonyl)amino]phenyl]carbamoyl]piperidine-4-carboxylate
CID 3240420
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate (CID 110754209) is methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is NRYSXMSJEKBVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-22-15(21)18-8-6-11(7-9-18)14(20)17-12-4-2-10(3-5-12)13(16)19/h2-5,11H,6-9H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate?
methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110754209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).