N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide

C18H28N4O2 — CID 5210403

IUPACN-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCC(C)CN(CCC(=O)N1CCC(C)CC1)C(=O)c1cnccn1
InChIInChI=1S/C18H28N4O2/c1-14(2)13-22(18(24)16-12-19-7-8-20-16)11-6-17(23)21-9-4-15(3)5-10-21/h7-8,12,14-15H,4-6,9-11,13H2,1-3H3
InChIKeyPHYQMGGCALVWLY-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.22
Rot. Bonds6

About N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide

N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 5210403) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID5210403
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCC(C)CN(CCC(=O)N1CCC(C)CC1)C(=O)c1cnccn1
InChIInChI=1S/C18H28N4O2/c1-14(2)13-22(18(24)16-12-19-7-8-20-16)11-6-17(23)21-9-4-15(3)5-10-21/h7-8,12,14-15H,4-6,9-11,13H2,1-3H3
InChIKeyPHYQMGGCALVWLY-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 7328717
N-(2-methylpropyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 4256898
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 55049875
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-butan-2-ylpyrazine-2-carboxamide
CID 5198140
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 42783067
ethyl 1-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 7412423
N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 1031586
ethyl 4-[3-[[(2R)-butan-2-yl]-(pyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 7351393
ethyl 1-[3-[cyclopropyl(pyrazine-2-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 1031632
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(3-ethoxypropyl)pyrazine-2-carboxamide
CID 42783371
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 4091593

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 5210403) is N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide is CC(C)CN(CCC(=O)N1CCC(C)CC1)C(=O)c1cnccn1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is PHYQMGGCALVWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(2)13-22(18(24)16-12-19-7-8-20-16)11-6-17(23)21-9-4-15(3)5-10-21/h7-8,12,14-15H,4-6,9-11,13H2,1-3H3.
What are the key properties of N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide?
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 5210403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).