N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C18H23N5O — CID 91903860

IUPACN-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C18H23N5O/c24-18(19-12-13-6-2-1-3-7-13)23-11-5-4-8-15(23)17-20-16(21-22-17)14-9-10-14/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,24)(H,20,21,22)
InChIKeySSGRZPGFOKVXSE-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.12
Rot. Bonds4

About N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 91903860) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID91903860
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C18H23N5O/c24-18(19-12-13-6-2-1-3-7-13)23-11-5-4-8-15(23)17-20-16(21-22-17)14-9-10-14/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,24)(H,20,21,22)
InChIKeySSGRZPGFOKVXSE-UHFFFAOYSA-N
XLogP3.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 91903860) is N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCCCC1c1nc(C2CC2)n[nH]1.
What is the InChIKey of N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is SSGRZPGFOKVXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(19-12-13-6-2-1-3-7-13)23-11-5-4-8-15(23)17-20-16(21-22-17)14-9-10-14/h1-3,6-7,14-15H,4-5,8-12H2,(H,19,24)(H,20,21,22).
What are the key properties of N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 91903860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).