1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide

C22H27N5O — CID 18119095

IUPAC1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCc3ccccc3CN3CCCCC3)ccc21
InChIInChI=1S/C22H27N5O/c1-2-27-21-11-10-17(14-20(21)24-25-27)22(28)23-15-18-8-4-5-9-19(18)16-26-12-6-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3,(H,23,28)
InChIKeyWNNTWJMNSWMEFF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.37
Rot. Bonds6

About 1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide

1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide (PubChem CID 18119095) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide
PubChem CID18119095
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCc3ccccc3CN3CCCCC3)ccc21
InChIInChI=1S/C22H27N5O/c1-2-27-21-11-10-17(14-20(21)24-25-27)22(28)23-15-18-8-4-5-9-19(18)16-26-12-6-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3,(H,23,28)
InChIKeyWNNTWJMNSWMEFF-UHFFFAOYSA-N
XLogP3.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 39982088
N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30832500
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397847
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-[(3-phenoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 39021866
6-methoxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 24532714
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920
1-[(2-ethylphenyl)methyl]benzotriazole-5-carboxylic acid
CID 64695907
N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30873001
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide (CID 18119095) is 1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCc3ccccc3CN3CCCCC3)ccc21.
What is the InChIKey of 1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide?
The InChIKey is WNNTWJMNSWMEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-27-21-11-10-17(14-20(21)24-25-27)22(28)23-15-18-8-4-5-9-19(18)16-26-12-6-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3,(H,23,28).
What are the key properties of 1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide?
1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 18119095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).