N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide

C13H15ClN2O2 — CID 89385474

IUPACN-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide
SMILESO=CN1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H15ClN2O2/c14-11-1-3-12(4-2-11)15-13(18)10-5-7-16(9-17)8-6-10/h1-4,9-10H,5-8H2,(H,15,18)
InChIKeyQAERVJRTOUMHKX-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.15
Rot. Bonds3

About N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide

N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide (PubChem CID 89385474) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide
PubChem CID89385474
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide
SMILESO=CN1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H15ClN2O2/c14-11-1-3-12(4-2-11)15-13(18)10-5-7-16(9-17)8-6-10/h1-4,9-10H,5-8H2,(H,15,18)
InChIKeyQAERVJRTOUMHKX-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007205
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
N-(4-chlorophenyl)-3-hydroxycyclopentane-1-carboxamide
CID 141145341

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide (CID 89385474) is N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide is O=CN1CCC(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide?
The InChIKey is QAERVJRTOUMHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-11-1-3-12(4-2-11)15-13(18)10-5-7-16(9-17)8-6-10/h1-4,9-10H,5-8H2,(H,15,18).
What are the key properties of N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide?
N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-formylpiperidine-4-carboxamide is sourced from PubChem (CID 89385474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).