2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide

C20H30N6O — CID 167789844

IUPAC2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCC(C)n1cnnc1CN(C)CC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C20H30N6O/c1-16(2)26-15-21-23-19(26)13-24(3)14-20(27)22-17-9-5-6-10-18(17)25-11-7-4-8-12-25/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3,(H,22,27)
InChIKeyXTGHQNWDGNIADB-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.92
Rot. Bonds7

About 2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide

2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide (PubChem CID 167789844) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide
PubChem CID167789844
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide
SMILESCC(C)n1cnnc1CN(C)CC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C20H30N6O/c1-16(2)26-15-21-23-19(26)13-24(3)14-20(27)22-17-9-5-6-10-18(17)25-11-7-4-8-12-25/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3,(H,22,27)
InChIKeyXTGHQNWDGNIADB-UHFFFAOYSA-N
XLogP2.92
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
N-(2,6-dimethylphenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetamide
CID 17498094
2-[cyclohexylmethyl(methyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46570974
5-amino-4-methyl-N-(2-piperidin-1-ylphenyl)pentanamide
CID 82014227
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412
3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide
CID 75401430
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]propanamide
CID 24573425
2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35359833
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
3,3-dimethyl-5-oxo-5-(2-piperidin-1-ylanilino)pentanoate
CID 6926722

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide (CID 167789844) is 2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide is CC(C)n1cnnc1CN(C)CC(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide?
The InChIKey is XTGHQNWDGNIADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-16(2)26-15-21-23-19(26)13-24(3)14-20(27)22-17-9-5-6-10-18(17)25-11-7-4-8-12-25/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3,(H,22,27).
What are the key properties of 2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide?
2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide has a molecular weight of 370.50 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]amino]-N-(2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 167789844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).