(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C20H32N4O — CID 37263870

IUPAC(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C20H32N4O/c1-20(2,3)16-8-4-5-9-17(16)23-19(25)15-7-6-12-24(14-15)18-13-21-10-11-22-18/h10-11,13,15-17H,4-9,12,14H2,1-3H3,(H,23,25)/t15-,16-,17+/m1/s1
InChIKeyQXXOXBIZWDJLDD-ZACQAIPSSA-N
MW344.50 g/mol
LogP3.41
Rot. Bonds3

About (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 37263870) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID37263870
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C20H32N4O/c1-20(2,3)16-8-4-5-9-17(16)23-19(25)15-7-6-12-24(14-15)18-13-21-10-11-22-18/h10-11,13,15-17H,4-9,12,14H2,1-3H3,(H,23,25)/t15-,16-,17+/m1/s1
InChIKeyQXXOXBIZWDJLDD-ZACQAIPSSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(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-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597405
(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
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
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 37263870) is (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is QXXOXBIZWDJLDD-ZACQAIPSSA-N. The full InChI is InChI=1S/C20H32N4O/c1-20(2,3)16-8-4-5-9-17(16)23-19(25)15-7-6-12-24(14-15)18-13-21-10-11-22-18/h10-11,13,15-17H,4-9,12,14H2,1-3H3,(H,23,25)/t15-,16-,17+/m1/s1.
What are the key properties of (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 37263870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).