N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H28N4O — CID 47024943

IUPACN-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC1CCCC(NC(=O)C2CCCN(c3cnccn3)C2)C1C
InChIInChI=1S/C18H28N4O/c1-13-5-3-7-16(14(13)2)21-18(23)15-6-4-10-22(12-15)17-11-19-8-9-20-17/h8-9,11,13-16H,3-7,10,12H2,1-2H3,(H,21,23)
InChIKeySTLHQXKOWRWKGX-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.63
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 47024943) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID47024943
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC1CCCC(NC(=O)C2CCCN(c3cnccn3)C2)C1C
InChIInChI=1S/C18H28N4O/c1-13-5-3-7-16(14(13)2)21-18(23)15-6-4-10-22(12-15)17-11-19-8-9-20-17/h8-9,11,13-16H,3-7,10,12H2,1-2H3,(H,21,23)
InChIKeySTLHQXKOWRWKGX-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 124822252
(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37263870
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37037897
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597405
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 47024943) is N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is CC1CCCC(NC(=O)C2CCCN(c3cnccn3)C2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is STLHQXKOWRWKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13-5-3-7-16(14(13)2)21-18(23)15-6-4-10-22(12-15)17-11-19-8-9-20-17/h8-9,11,13-16H,3-7,10,12H2,1-2H3,(H,21,23).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 47024943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).