N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide

C13H20N4O — CID 42950778

IUPACN-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C13H20N4O/c1-10(2)16-13(18)11-4-3-7-17(9-11)12-8-14-5-6-15-12/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyFQMFYSYAJKEGLP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds3

About N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide

N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 42950778) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID42950778
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C13H20N4O/c1-10(2)16-13(18)11-4-3-7-17(9-11)12-8-14-5-6-15-12/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyFQMFYSYAJKEGLP-UHFFFAOYSA-N
XLogP1.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
(3R)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94129224
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950718
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
(3R)-N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950210
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37263870
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
(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 124822252

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 42950778) is N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is FQMFYSYAJKEGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(2)16-13(18)11-4-3-7-17(9-11)12-8-14-5-6-15-12/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42950778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).