1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide

C19H27N5O2 — CID 42238606

IUPAC1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCOc1ccccc1CN1CCC(n2cc(C(=O)NC(C)C)nn2)CC1
InChIInChI=1S/C19H27N5O2/c1-14(2)20-19(25)17-13-24(22-21-17)16-8-10-23(11-9-16)12-15-6-4-5-7-18(15)26-3/h4-7,13-14,16H,8-12H2,1-3H3,(H,20,25)
InChIKeySSZKBQMUQJRMCS-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.26
Rot. Bonds6

About 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide

1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 42238606) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID42238606
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide
SMILESCOc1ccccc1CN1CCC(n2cc(C(=O)NC(C)C)nn2)CC1
InChIInChI=1S/C19H27N5O2/c1-14(2)20-19(25)17-13-24(22-21-17)16-8-10-23(11-9-16)12-15-6-4-5-7-18(15)26-3/h4-7,13-14,16H,8-12H2,1-3H3,(H,20,25)
InChIKeySSZKBQMUQJRMCS-UHFFFAOYSA-N
XLogP2.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(2-methoxyphenyl)propanoylamino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42382756
methyl 4-[[4-[4-(propan-2-ylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 26352779
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813101
N-cyclopropyl-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26347462
1-[2-[4-[1-(2-methoxyphenyl)propan-2-yl]piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45229473
1-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26326480
N-cyclopentyl-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42419244
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119845153
methyl 1-[(3R)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxylate
CID 124874715
N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343423

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide (CID 42238606) is 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide is COc1ccccc1CN1CCC(n2cc(C(=O)NC(C)C)nn2)CC1.
What is the InChIKey of 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is SSZKBQMUQJRMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(2)20-19(25)17-13-24(22-21-17)16-8-10-23(11-9-16)12-15-6-4-5-7-18(15)26-3/h4-7,13-14,16H,8-12H2,1-3H3,(H,20,25).
What are the key properties of 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide?
1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 42238606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).