1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide

C16H24ClN3O — CID 39394641

IUPAC1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H24ClN3O/c1-4-16(2,3)19-15(21)12-7-9-20(10-8-12)14-6-5-13(17)11-18-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,21)
InChIKeyCFZJPNYOHIKVGW-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.26
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 39394641) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID39394641
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C16H24ClN3O/c1-4-16(2,3)19-15(21)12-7-9-20(10-8-12)14-6-5-13(17)11-18-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,21)
InChIKeyCFZJPNYOHIKVGW-UHFFFAOYSA-N
XLogP3.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide (CID 39394641) is 1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide is CCC(C)(C)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is CFZJPNYOHIKVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-16(2,3)19-15(21)12-7-9-20(10-8-12)14-6-5-13(17)11-18-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,21).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 39394641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).