N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide

C16H22ClN3O2 — CID 108562781

IUPACN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCC(C)(CCl)C(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-16(2,11-17)15(22)20-9-6-12(7-10-20)19-14(21)13-5-3-4-8-18-13/h3-5,8,12H,6-7,9-11H2,1-2H3,(H,19,21)
InChIKeyCCOWUJNWUXRRRX-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.07
Rot. Bonds4

About N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide

N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 108562781) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID108562781
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCC(C)(CCl)C(=O)N1CCC(NC(=O)c2ccccn2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-16(2,11-17)15(22)20-9-6-12(7-10-20)19-14(21)13-5-3-4-8-18-13/h3-5,8,12H,6-7,9-11H2,1-2H3,(H,19,21)
InChIKeyCCOWUJNWUXRRRX-UHFFFAOYSA-N
XLogP2.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562791
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
butyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562788
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557881
N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557809
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide (CID 108562781) is N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide is CC(C)(CCl)C(=O)N1CCC(NC(=O)c2ccccn2)CC1.
What is the InChIKey of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is CCOWUJNWUXRRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-16(2,11-17)15(22)20-9-6-12(7-10-20)19-14(21)13-5-3-4-8-18-13/h3-5,8,12H,6-7,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide?
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 108562781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).