5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide

C18H25N5O2 — CID 119714993

IUPAC5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
SMILESCCCOc1cccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C18H25N5O2/c1-3-11-25-16-6-4-5-14(12-16)20-18(24)17-13(2)23(22-21-17)15-7-9-19-10-8-15/h4-6,12,15,19H,3,7-11H2,1-2H3,(H,20,24)
InChIKeySNLVVPVWURZDNT-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.55
Rot. Bonds6

About 5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide

5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide (PubChem CID 119714993) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
PubChem CID119714993
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
SMILESCCCOc1cccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C18H25N5O2/c1-3-11-25-16-6-4-5-14(12-16)20-18(24)17-13(2)23(22-21-17)15-7-9-19-10-8-15/h4-6,12,15,19H,3,7-11H2,1-2H3,(H,20,24)
InChIKeySNLVVPVWURZDNT-UHFFFAOYSA-N
XLogP2.55
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722274
N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767728
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119699613
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119745534
N-(2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675634
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119680434

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide (CID 119714993) is 5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide is CCCOc1cccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide?
The InChIKey is SNLVVPVWURZDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-11-25-16-6-4-5-14(12-16)20-18(24)17-13(2)23(22-21-17)15-7-9-19-10-8-15/h4-6,12,15,19H,3,7-11H2,1-2H3,(H,20,24).
What are the key properties of 5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide?
5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 119714993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).