N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide

C17H31N5O2 — CID 119729618

IUPACN-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C17H31N5O2/c1-5-14(6-2)21(11-12-24-4)17(23)16-13(3)22(20-19-16)15-7-9-18-10-8-15/h14-15,18H,5-12H2,1-4H3
InChIKeyPVBIZLUBZSHLDJ-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.79
Rot. Bonds8

About N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide

N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119729618) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119729618
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC NameN-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C17H31N5O2/c1-5-14(6-2)21(11-12-24-4)17(23)16-13(3)22(20-19-16)15-7-9-18-10-8-15/h14-15,18H,5-12H2,1-4H3
InChIKeyPVBIZLUBZSHLDJ-UHFFFAOYSA-N
XLogP1.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 119730921
N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119754980
5-methyl-N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119672592
N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688822
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
N-butyl-5-methyl-N-(1-phenylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119783777
N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722097
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-cyclopropyl-5-methyl-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide;hydrochloride
CID 119728041
N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119680833
N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119733287
N-cyclopropyl-N-(1-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728865

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide (CID 119729618) is N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide is CCC(CC)N(CCOC)C(=O)c1nnn(C2CCNCC2)c1C.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is PVBIZLUBZSHLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-5-14(6-2)21(11-12-24-4)17(23)16-13(3)22(20-19-16)15-7-9-18-10-8-15/h14-15,18H,5-12H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide?
N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-N-pentan-3-yl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119729618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).