N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C17H29N5O2 — CID 71915486

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCCC1(CC)C(NC(=O)N2CCC(n3cncn3)CC2)CC1OC
InChIInChI=1S/C17H29N5O2/c1-4-17(5-2)14(10-15(17)24-3)20-16(23)21-8-6-13(7-9-21)22-12-18-11-19-22/h11-15H,4-10H2,1-3H3,(H,20,23)
InChIKeyIJUHAHZLOZPYML-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.22
Rot. Bonds5

About N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 71915486) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID71915486
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCCC1(CC)C(NC(=O)N2CCC(n3cncn3)CC2)CC1OC
InChIInChI=1S/C17H29N5O2/c1-4-17(5-2)14(10-15(17)24-3)20-16(23)21-8-6-13(7-9-21)22-12-18-11-19-22/h11-15H,4-10H2,1-3H3,(H,20,23)
InChIKeyIJUHAHZLOZPYML-UHFFFAOYSA-N
XLogP2.22
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 71915486) is N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is CCC1(CC)C(NC(=O)N2CCC(n3cncn3)CC2)CC1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is IJUHAHZLOZPYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-17(5-2)14(10-15(17)24-3)20-16(23)21-8-6-13(7-9-21)22-12-18-11-19-22/h11-15H,4-10H2,1-3H3,(H,20,23).
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71915486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).