methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate

C14H17ClN2O3 — CID 47392418

IUPACmethyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H17ClN2O3/c1-20-14(19)17-8-6-10(7-9-17)16-13(18)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyBDQHYNNTPRGXFR-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.30
Rot. Bonds2

About methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate

methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 47392418) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
PubChem CID47392418
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Namemethyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H17ClN2O3/c1-20-14(19)17-8-6-10(7-9-17)16-13(18)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyBDQHYNNTPRGXFR-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269
methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate
CID 86841438
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 3218437
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
2-chloro-N-cyclopentylbenzamide
CID 669043
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate (CID 47392418) is methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1.
What is the InChIKey of methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is BDQHYNNTPRGXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-20-14(19)17-8-6-10(7-9-17)16-13(18)11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H,16,18).
What are the key properties of methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate?
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 296.75 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 47392418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).