1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide

C20H26N4O — CID 47064418

IUPAC1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(CCc1ccccc1)N1CCC(C(=O)Nc2cnccn2)CC1
InChIInChI=1S/C20H26N4O/c1-16(7-8-17-5-3-2-4-6-17)24-13-9-18(10-14-24)20(25)23-19-15-21-11-12-22-19/h2-6,11-12,15-16,18H,7-10,13-14H2,1H3,(H,22,23,25)
InChIKeyMIEXCCRCVUZIAK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.15
Rot. Bonds6

About 1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide

1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 47064418) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID47064418
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(CCc1ccccc1)N1CCC(C(=O)Nc2cnccn2)CC1
InChIInChI=1S/C20H26N4O/c1-16(7-8-17-5-3-2-4-6-17)24-13-9-18(10-14-24)20(25)23-19-15-21-11-12-22-19/h2-6,11-12,15-16,18H,7-10,13-14H2,1H3,(H,22,23,25)
InChIKeyMIEXCCRCVUZIAK-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide (CID 47064418) is 1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide is CC(CCc1ccccc1)N1CCC(C(=O)Nc2cnccn2)CC1.
What is the InChIKey of 1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is MIEXCCRCVUZIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(7-8-17-5-3-2-4-6-17)24-13-9-18(10-14-24)20(25)23-19-15-21-11-12-22-19/h2-6,11-12,15-16,18H,7-10,13-14H2,1H3,(H,22,23,25).
What are the key properties of 1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide?
1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutan-2-yl)-N-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 47064418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).