(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide

C21H30N4O — CID 94101331

IUPAC(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CCCN(c2cnccn2)C1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H30N4O/c1-24(20-17-8-14-7-15(10-17)11-18(20)9-14)21(26)16-3-2-6-25(13-16)19-12-22-4-5-23-19/h4-5,12,14-18,20H,2-3,6-11,13H2,1H3/t14?,15?,16-,17?,18?,20?/m0/s1
InChIKeyBPKJQYACFHZVML-HEARQBNBSA-N
MW354.50 g/mol
LogP2.98
Rot. Bonds3

About (3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 94101331) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID94101331
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCN(C(=O)[C@H]1CCCN(c2cnccn2)C1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H30N4O/c1-24(20-17-8-14-7-15(10-17)11-18(20)9-14)21(26)16-3-2-6-25(13-16)19-12-22-4-5-23-19/h4-5,12,14-18,20H,2-3,6-11,13H2,1H3/t14?,15?,16-,17?,18?,20?/m0/s1
InChIKeyBPKJQYACFHZVML-HEARQBNBSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 75414525
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597326
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-tert-butyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045960
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 129427634
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 100871021
N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597069
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
(3R)-N-[(1S,2S)-2-tert-butylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37263870
1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024935
(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 92862538

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 94101331) is (3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide is CN(C(=O)[C@H]1CCCN(c2cnccn2)C1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of (3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is BPKJQYACFHZVML-HEARQBNBSA-N. The full InChI is InChI=1S/C21H30N4O/c1-24(20-17-8-14-7-15(10-17)11-18(20)9-14)21(26)16-3-2-6-25(13-16)19-12-22-4-5-23-19/h4-5,12,14-18,20H,2-3,6-11,13H2,1H3/t14?,15?,16-,17?,18?,20?/m0/s1.
What are the key properties of (3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 94101331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).