N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C21H34N4O — CID 46597405

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCCN(c3cnccn3)C2)CC1
InChIInChI=1S/C21H34N4O/c1-4-21(2,3)17-7-9-18(10-8-17)24-20(26)16-6-5-13-25(15-16)19-14-22-11-12-23-19/h11-12,14,16-18H,4-10,13,15H2,1-3H3,(H,24,26)
InChIKeyLREVPHIAHSKGGW-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.80
Rot. Bonds5

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 46597405) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID46597405
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)C2CCCN(c3cnccn3)C2)CC1
InChIInChI=1S/C21H34N4O/c1-4-21(2,3)17-7-9-18(10-8-17)24-20(26)16-6-5-13-25(15-16)19-14-22-11-12-23-19/h11-12,14,16-18H,4-10,13,15H2,1-3H3,(H,24,26)
InChIKeyLREVPHIAHSKGGW-UHFFFAOYSA-N
XLogP3.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(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-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536
(3S)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37037897
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide
CID 46474959
(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 124822252
N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024943
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
CID 18155873
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 46597405) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is CCC(C)(C)C1CCC(NC(=O)C2CCCN(c3cnccn3)C2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is LREVPHIAHSKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-4-21(2,3)17-7-9-18(10-8-17)24-20(26)16-6-5-13-25(15-16)19-14-22-11-12-23-19/h11-12,14,16-18H,4-10,13,15H2,1-3H3,(H,24,26).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46597405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).