N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide

C16H23ClN2O — CID 17152865

IUPACN-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O/c1-16(2,3)18-15(20)12-7-9-19(10-8-12)14-6-4-5-13(17)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,18,20)
InChIKeyNKIXQTMBPRRBLC-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.47
Rot. Bonds2

About N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide

N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide (PubChem CID 17152865) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
PubChem CID17152865
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O/c1-16(2,3)18-15(20)12-7-9-19(10-8-12)14-6-4-5-13(17)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,18,20)
InChIKeyNKIXQTMBPRRBLC-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 17153110
N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153142
N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139071
1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17153034
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018
methyl (3S)-1-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 124638264
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 170153363
N-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]cyclopropanecarboxamide
CID 113043728

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide (CID 17152865) is N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide?
The InChIKey is NKIXQTMBPRRBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-16(2,3)18-15(20)12-7-9-19(10-8-12)14-6-4-5-13(17)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide?
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).