5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

C19H27N5O2 — CID 119804034

IUPAC5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)COCc2ccccc2)nnn1C1CCNCC1
InChIInChI=1S/C19H27N5O2/c1-14(12-26-13-16-6-4-3-5-7-16)21-19(25)18-15(2)24(23-22-18)17-8-10-20-11-9-17/h3-7,14,17,20H,8-13H2,1-2H3,(H,21,25)
InChIKeyXKDPUMPYLJPJQU-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.85
Rot. Bonds7

About 5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119804034) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119804034
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)COCc2ccccc2)nnn1C1CCNCC1
InChIInChI=1S/C19H27N5O2/c1-14(12-26-13-16-6-4-3-5-7-16)21-19(25)18-15(2)24(23-22-18)17-8-10-20-11-9-17/h3-7,14,17,20H,8-13H2,1-2H3,(H,21,25)
InChIKeyXKDPUMPYLJPJQU-UHFFFAOYSA-N
XLogP1.85
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-methyl-3-phenylmethoxypropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119750635
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119813739
5-methyl-N-(2-methyl-2-phenylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119801261
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
ethyl 3-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]-2-phenylpropanoate
CID 119805444
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718313
5-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851514
N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722274
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
5-methyl-1-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]triazole-4-carboxamide
CID 119784371

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119804034) is 5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NC(C)COCc2ccccc2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is XKDPUMPYLJPJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(12-26-13-16-6-4-3-5-7-16)21-19(25)18-15(2)24(23-22-18)17-8-10-20-11-9-17/h3-7,14,17,20H,8-13H2,1-2H3,(H,21,25).
What are the key properties of 5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-phenylmethoxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119804034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).