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

C14H17ClN2O3 — CID 79039467

IUPACmethyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClN2O3/c1-20-13(18)10-3-2-8-17(9-10)14(19)16-12-6-4-11(15)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeySJPWJCQSPYHLFQ-JTQLQIEISA-N
MW296.75 g/mol
LogP2.76
Rot. Bonds2

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

methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate (PubChem CID 79039467) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
PubChem CID79039467
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Namemethyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClN2O3/c1-20-13(18)10-3-2-8-17(9-10)14(19)16-12-6-4-11(15)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeySJPWJCQSPYHLFQ-JTQLQIEISA-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 (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
N-(4-chlorophenyl)-4-(1-methylpiperidine-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 138809661
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
methyl 1-[(4-chlorophenyl)carbamothioyl]piperidine-4-carboxylate
CID 8743307
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
methyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-3-carboxylate
CID 108754829
methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42695560
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate (CID 79039467) is methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is SJPWJCQSPYHLFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-20-13(18)10-3-2-8-17(9-10)14(19)16-12-6-4-11(15)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H,16,19)/t10-/m0/s1.
What are the key properties of methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate?
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-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 (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 79039467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).