N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide

C19H22N4O2 — CID 47841965

IUPACN-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCC(c2ccccc2)CC1)c1cnccn1
InChIInChI=1S/C19H22N4O2/c24-18(6-9-22-19(25)17-14-20-10-11-21-17)23-12-7-16(8-13-23)15-4-2-1-3-5-15/h1-5,10-11,14,16H,6-9,12-13H2,(H,22,25)
InChIKeyXWIVNHDZRZCMPW-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.00
Rot. Bonds5

About N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide

N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide (PubChem CID 47841965) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
PubChem CID47841965
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCC(c2ccccc2)CC1)c1cnccn1
InChIInChI=1S/C19H22N4O2/c24-18(6-9-22-19(25)17-14-20-10-11-21-17)23-12-7-16(8-13-23)15-4-2-1-3-5-15/h1-5,10-11,14,16H,6-9,12-13H2,(H,22,25)
InChIKeyXWIVNHDZRZCMPW-UHFFFAOYSA-N
XLogP2.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propyl]pyrazine-2-carboxamide
CID 47074281
4-bromo-N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]benzamide
CID 39580304
1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
CID 46588795
N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 75395596
4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
CID 39582079
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557401
N-[3-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 51327520
N'-[4-(1-methylpiperidin-4-yl)phenyl]pyrazine-2-carbohydrazide
CID 158377462
N-[3-[2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 91822886
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide (CID 47841965) is N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide is O=C(NCCC(=O)N1CCC(c2ccccc2)CC1)c1cnccn1.
What is the InChIKey of N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide?
The InChIKey is XWIVNHDZRZCMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(6-9-22-19(25)17-14-20-10-11-21-17)23-12-7-16(8-13-23)15-4-2-1-3-5-15/h1-5,10-11,14,16H,6-9,12-13H2,(H,22,25).
What are the key properties of N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide?
N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47841965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).