N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide

C17H21N5O — CID 45269087

IUPACN-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C17H21N5O/c23-17(19-16-12-15(16)13-4-2-1-3-5-13)21-9-6-14(7-10-21)22-11-8-18-20-22/h1-5,8,11,14-16H,6-7,9-10,12H2,(H,19,23)
InChIKeyDIBROLGRIJOMRQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.18
Rot. Bonds3

About N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide

N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide (PubChem CID 45269087) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide
PubChem CID45269087
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C17H21N5O/c23-17(19-16-12-15(16)13-4-2-1-3-5-13)21-9-6-14(7-10-21)22-11-8-18-20-22/h1-5,8,11,14-16H,6-7,9-10,12H2,(H,19,23)
InChIKeyDIBROLGRIJOMRQ-UHFFFAOYSA-N
XLogP2.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide (CID 45269087) is N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide is O=C(NC1CC1c1ccccc1)N1CCC(n2ccnn2)CC1.
What is the InChIKey of N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is DIBROLGRIJOMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(19-16-12-15(16)13-4-2-1-3-5-13)21-9-6-14(7-10-21)22-11-8-18-20-22/h1-5,8,11,14-16H,6-7,9-10,12H2,(H,19,23).
What are the key properties of N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide?
N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)-4-(triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 45269087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).