N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide

C21H29N5O2 — CID 92632158

IUPACN-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCC[C@H]1CCCCN1C(=O)Cn1nnc2ccccc21)C1CCCC1
InChIInChI=1S/C21H29N5O2/c27-20(15-26-19-11-4-3-10-18(19)23-24-26)25-14-6-5-9-17(25)12-13-22-21(28)16-7-1-2-8-16/h3-4,10-11,16-17H,1-2,5-9,12-15H2,(H,22,28)/t17-/m1/s1
InChIKeyIYAXRNKYRRHZNK-QGZVFWFLSA-N
MW383.50 g/mol
LogP2.51
Rot. Bonds6

About N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide

N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide (PubChem CID 92632158) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide
PubChem CID92632158
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide
SMILESO=C(NCC[C@H]1CCCCN1C(=O)Cn1nnc2ccccc21)C1CCCC1
InChIInChI=1S/C21H29N5O2/c27-20(15-26-19-11-4-3-10-18(19)23-24-26)25-14-6-5-9-17(25)12-13-22-21(28)16-7-1-2-8-16/h3-4,10-11,16-17H,1-2,5-9,12-15H2,(H,22,28)/t17-/m1/s1
InChIKeyIYAXRNKYRRHZNK-QGZVFWFLSA-N
XLogP2.51
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 92634296
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
2-(benzotriazol-1-yl)-1-[(2S)-2-benzylpyrrolidin-1-yl]ethanone
CID 94614680
(3S)-1-[2-(benzotriazol-1-yl)acetyl]-N-propylpiperidine-3-carboxamide
CID 94366754
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
2-(benzotriazol-1-yl)-1-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 154799821
2-(benzotriazol-1-yl)-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569415
(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 92633431
N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634328
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
2-(benzotriazol-1-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125023926
2-(benzotriazol-1-yl)-1-[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125023927

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide (CID 92632158) is N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide is O=C(NCC[C@H]1CCCCN1C(=O)Cn1nnc2ccccc21)C1CCCC1.
What is the InChIKey of N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is IYAXRNKYRRHZNK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-20(15-26-19-11-4-3-10-18(19)23-24-26)25-14-6-5-9-17(25)12-13-22-21(28)16-7-1-2-8-16/h3-4,10-11,16-17H,1-2,5-9,12-15H2,(H,22,28)/t17-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide?
N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 92632158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).