N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide

C19H24N6O2 — CID 74251394

IUPACN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(n3cnnc3)CC2)ccc1N1CCCC1=O
InChIInChI=1S/C19H24N6O2/c1-14-11-15(4-5-17(14)25-8-2-3-18(25)26)22-19(27)23-9-6-16(7-10-23)24-12-20-21-13-24/h4-5,11-13,16H,2-3,6-10H2,1H3,(H,22,27)
InChIKeyKCBHWUZFVNYCHA-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.58
Rot. Bonds3

About N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide (PubChem CID 74251394) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
PubChem CID74251394
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(n3cnnc3)CC2)ccc1N1CCCC1=O
InChIInChI=1S/C19H24N6O2/c1-14-11-15(4-5-17(14)25-8-2-3-18(25)26)22-19(27)23-9-6-16(7-10-23)24-12-20-21-13-24/h4-5,11-13,16H,2-3,6-10H2,1H3,(H,22,27)
InChIKeyKCBHWUZFVNYCHA-UHFFFAOYSA-N
XLogP2.58
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide (CID 74251394) is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(n3cnnc3)CC2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide?
The InChIKey is KCBHWUZFVNYCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-11-15(4-5-17(14)25-8-2-3-18(25)26)22-19(27)23-9-6-16(7-10-23)24-12-20-21-13-24/h4-5,11-13,16H,2-3,6-10H2,1H3,(H,22,27).
What are the key properties of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide?
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 74251394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).