N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide

C18H27N3O2 — CID 118786010

IUPACN-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN(C3CCCC3)CC2)cn1C
InChIInChI=1S/C18H27N3O2/c1-13-11-17(22)16(12-20(13)2)18(23)19-14-7-9-21(10-8-14)15-5-3-4-6-15/h11-12,14-15H,3-10H2,1-2H3,(H,19,23)
InChIKeyUXCHVZORXXZUGM-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.83
Rot. Bonds3

About N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide

N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 118786010) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID118786010
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN(C3CCCC3)CC2)cn1C
InChIInChI=1S/C18H27N3O2/c1-13-11-17(22)16(12-20(13)2)18(23)19-14-7-9-21(10-8-14)15-5-3-4-6-15/h11-12,14-15H,3-10H2,1-2H3,(H,19,23)
InChIKeyUXCHVZORXXZUGM-UHFFFAOYSA-N
XLogP1.83
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide (CID 118786010) is N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCN(C3CCCC3)CC2)cn1C.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is UXCHVZORXXZUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-11-17(22)16(12-20(13)2)18(23)19-14-7-9-21(10-8-14)15-5-3-4-6-15/h11-12,14-15H,3-10H2,1-2H3,(H,19,23).
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpiperidin-4-yl)-1,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 118786010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).