N-(3,4-dichlorophenyl)piperidine-1-carboxamide

C12H14Cl2N2O — CID 1283206

IUPACN-(3,4-dichlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C12H14Cl2N2O/c13-10-5-4-9(8-11(10)14)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKeyPNTBDTFSRQFWRY-UHFFFAOYSA-N
MW273.16 g/mol
LogP4.01
Rot. Bonds1

About N-(3,4-dichlorophenyl)piperidine-1-carboxamide

N-(3,4-dichlorophenyl)piperidine-1-carboxamide (PubChem CID 1283206) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)piperidine-1-carboxamide
PubChem CID1283206
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(3,4-dichlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C12H14Cl2N2O/c13-10-5-4-9(8-11(10)14)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17)
InChIKeyPNTBDTFSRQFWRY-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Diuron
CID 3120
Linuron
CID 9502
Triclocarban
CID 7547
Monuron
CID 8800
Urea, (3,4-dichlorophenyl)-
CID 16854
Monomethyldiuron
CID 19113
Monomethylmonuron
CID 79309
Neburon
CID 11145
Buturon
CID 19587
3,3',4,4'-Tetrachlorocarbanilide
CID 95783
4,4'-Dichlorocarbanilide
CID 94996
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)piperidine-1-carboxamide (CID 1283206) is N-(3,4-dichlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCCC1.
What is the InChIKey of N-(3,4-dichlorophenyl)piperidine-1-carboxamide?
The InChIKey is PNTBDTFSRQFWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-10-5-4-9(8-11(10)14)15-12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H,15,17).
What are the key properties of N-(3,4-dichlorophenyl)piperidine-1-carboxamide?
N-(3,4-dichlorophenyl)piperidine-1-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1283206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).