methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate

C14H17ClN2O3 — CID 110754183

IUPACmethyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H17ClN2O3/c1-20-14(19)17-7-5-10(6-8-17)13(18)16-12-4-2-3-11(15)9-12/h2-4,9-10H,5-8H2,1H3,(H,16,18)
InChIKeyRGLVWSXNBGSHAR-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.76
Rot. Bonds2

About methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate

methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 110754183) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID110754183
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Namemethyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H17ClN2O3/c1-20-14(19)17-7-5-10(6-8-17)13(18)16-12-4-2-3-11(15)9-12/h2-4,9-10H,5-8H2,1H3,(H,16,18)
InChIKeyRGLVWSXNBGSHAR-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110754209
1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 170153363
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 72940470
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330648
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 43815719

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate (CID 110754183) is methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCC(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is RGLVWSXNBGSHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-20-14(19)17-7-5-10(6-8-17)13(18)16-12-4-2-3-11(15)9-12/h2-4,9-10H,5-8H2,1H3,(H,16,18).
What are the key properties of methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate?
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 296.75 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110754183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).