(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide

C14H22N4O — CID 94045960

IUPAC(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C14H22N4O/c1-14(2,3)17-13(19)11-5-4-8-18(10-11)12-9-15-6-7-16-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyZJJKHBXRLRPOGS-NSHDSACASA-N
MW262.36 g/mol
LogP1.61
Rot. Bonds2

About (3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 94045960) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID94045960
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C14H22N4O/c1-14(2,3)17-13(19)11-5-4-8-18(10-11)12-9-15-6-7-16-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,19)/t11-/m0/s1
InChIKeyZJJKHBXRLRPOGS-NSHDSACASA-N
XLogP1.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37263870
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
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
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
(3S)-N-(1-methylpyrazol-3-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37000668

Frequently Asked Questions

What is the IUPAC name of (3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 94045960) is (3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide is CC(C)(C)NC(=O)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZJJKHBXRLRPOGS-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)17-13(19)11-5-4-8-18(10-11)12-9-15-6-7-16-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 94045960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).