2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide

C20H29N5O — CID 1469564

IUPAC2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)CC1
InChIInChI=1S/C20H29N5O/c1-15-6-8-16(9-7-15)21-20(26)14-24-12-10-17(11-13-24)25-19-5-3-2-4-18(19)22-23-25/h2-5,15-17H,6-14H2,1H3,(H,21,26)
InChIKeyKWRKLEZBYMYMHW-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.76
Rot. Bonds4

About 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 1469564) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID1469564
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)CC1
InChIInChI=1S/C20H29N5O/c1-15-6-8-16(9-7-15)21-20(26)14-24-12-10-17(11-13-24)25-19-5-3-2-4-18(19)22-23-25/h2-5,15-17H,6-14H2,1H3,(H,21,26)
InChIKeyKWRKLEZBYMYMHW-UHFFFAOYSA-N
XLogP2.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]ethanone
CID 3229070
(2S)-2-acetamido-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
CID 155531034
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(m-tolyl)acetamide
CID 863021
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(p-tolyl)acetamide
CID 733624
Cmdc.202100576, 19d
CID 156907378
1-(2,3-Dihydro-indol-1-yl)-2-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-ethanone
CID 645204
2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-indan-5-yl-acetamide
CID 645302
2-Benzotriazol-1-yl-N-cyclohexyl-acetamide
CID 648490
2-[4-(5-Methyl-benzotriazol-1-yl)-piperidin-1-yl]-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 648572
4-Benzotriazol-1-yl-piperidine-1-carboxylic acid adamantan-1-ylamide
CID 650812
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[4-(5-fluoro-benzotriazol-1-yl)-piperidin-1-yl]-ethanone
CID 650975
N-Cyclopropyl-2-[4-(5-fluoro-benzotriazol-1-yl)-piperidin-1-yl]-acetamide
CID 652281

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 1469564) is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CN2CCC(n3nnc4ccccc43)CC2)CC1.
What is the InChIKey of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is KWRKLEZBYMYMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-6-8-16(9-7-15)21-20(26)14-24-12-10-17(11-13-24)25-19-5-3-2-4-18(19)22-23-25/h2-5,15-17H,6-14H2,1H3,(H,21,26).
What are the key properties of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 355.49 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 1469564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).