N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide

C17H29N5O2 — CID 119821910

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC1(CC)C(NC(=O)c2cn(C3CCNCC3)nn2)CC1OC
InChIInChI=1S/C17H29N5O2/c1-4-17(5-2)14(10-15(17)24-3)19-16(23)13-11-22(21-20-13)12-6-8-18-9-7-12/h11-12,14-15,18H,4-10H2,1-3H3,(H,19,23)
InChIKeyOYQVGBWESPYYOJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.53
Rot. Bonds6

About N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119821910) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119821910
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC1(CC)C(NC(=O)c2cn(C3CCNCC3)nn2)CC1OC
InChIInChI=1S/C17H29N5O2/c1-4-17(5-2)14(10-15(17)24-3)19-16(23)13-11-22(21-20-13)12-6-8-18-9-7-12/h11-12,14-15,18H,4-10H2,1-3H3,(H,19,23)
InChIKeyOYQVGBWESPYYOJ-UHFFFAOYSA-N
XLogP1.53
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793298
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433
N-(2-ethylsulfanylcyclopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119818847
N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119862379
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
N-[1-(4-chlorophenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119699892
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119821910) is N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide is CCC1(CC)C(NC(=O)c2cn(C3CCNCC3)nn2)CC1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is OYQVGBWESPYYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-17(5-2)14(10-15(17)24-3)19-16(23)13-11-22(21-20-13)12-6-8-18-9-7-12/h11-12,14-15,18H,4-10H2,1-3H3,(H,19,23).
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119821910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).