N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C21H22N4O — CID 71942635

IUPACN-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C21H22N4O/c26-21(18-8-4-12-25(15-18)20-14-22-10-11-23-20)24-13-17-7-3-6-16-5-1-2-9-19(16)17/h1-3,5-7,9-11,14,18H,4,8,12-13,15H2,(H,24,26)
InChIKeyRQRYGXJKRNDNOP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.16
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 71942635) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID71942635
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc2ccccc12)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C21H22N4O/c26-21(18-8-4-12-25(15-18)20-14-22-10-11-23-20)24-13-17-7-3-6-16-5-1-2-9-19(16)17/h1-3,5-7,9-11,14,18H,4,8,12-13,15H2,(H,24,26)
InChIKeyRQRYGXJKRNDNOP-UHFFFAOYSA-N
XLogP3.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37400735
(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 92862538
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950392
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 60515935
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37024045

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 71942635) is N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NCc1cccc2ccccc12)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is RQRYGXJKRNDNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(18-8-4-12-25(15-18)20-14-22-10-11-23-20)24-13-17-7-3-6-16-5-1-2-9-19(16)17/h1-3,5-7,9-11,14,18H,4,8,12-13,15H2,(H,24,26).
What are the key properties of N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 71942635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).