(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide

C16H21N5O2 — CID 92632488

IUPAC(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide
SMILESCNC(=O)[C@]1(C)CCCN(C(=O)Cn2nnc3ccccc32)C1
InChIInChI=1S/C16H21N5O2/c1-16(15(23)17-2)8-5-9-20(11-16)14(22)10-21-13-7-4-3-6-12(13)18-19-21/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,23)/t16-/m1/s1
InChIKeyVUNCUKJQMXSDSL-MRXNPFEDSA-N
MW315.38 g/mol
LogP0.81
Rot. Bonds3

About (3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide

(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide (PubChem CID 92632488) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide
PubChem CID92632488
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide
SMILESCNC(=O)[C@]1(C)CCCN(C(=O)Cn2nnc3ccccc32)C1
InChIInChI=1S/C16H21N5O2/c1-16(15(23)17-2)8-5-9-20(11-16)14(22)10-21-13-7-4-3-6-12(13)18-19-21/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,23)/t16-/m1/s1
InChIKeyVUNCUKJQMXSDSL-MRXNPFEDSA-N
XLogP0.81
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone
CID 92632795
4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide
CID 110268223
3-(benzotriazol-1-yl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 50961924
2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 166227750
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70744817
(3S)-1-[2-(benzotriazol-1-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 94366754
2-(benzotriazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 46958886
2-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447071
1-[2-(2-aminophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317438
1-[2-(1H-benzimidazol-2-yl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 77085622
2-(benzotriazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124992393

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide (CID 92632488) is (3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide is CNC(=O)[C@]1(C)CCCN(C(=O)Cn2nnc3ccccc32)C1.
What is the InChIKey of (3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide?
The InChIKey is VUNCUKJQMXSDSL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-16(15(23)17-2)8-5-9-20(11-16)14(22)10-21-13-7-4-3-6-12(13)18-19-21/h3-4,6-7H,5,8-11H2,1-2H3,(H,17,23)/t16-/m1/s1.
What are the key properties of (3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide?
(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 92632488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).