2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide

C21H29ClN2O2 — CID 154874702

IUPAC2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide
SMILESCCC1CN(C(=O)Cc2ccc3c(c2)CCCC3)CCC1NC(=O)CCl
InChIInChI=1S/C21H29ClN2O2/c1-2-16-14-24(10-9-19(16)23-20(25)13-22)21(26)12-15-7-8-17-5-3-4-6-18(17)11-15/h7-8,11,16,19H,2-6,9-10,12-14H2,1H3,(H,23,25)
InChIKeyCSMMECHPLGBVDL-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.09
Rot. Bonds5

About 2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide

2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide (PubChem CID 154874702) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide
PubChem CID154874702
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide
SMILESCCC1CN(C(=O)Cc2ccc3c(c2)CCCC3)CCC1NC(=O)CCl
InChIInChI=1S/C21H29ClN2O2/c1-2-16-14-24(10-9-19(16)23-20(25)13-22)21(26)12-15-7-8-17-5-3-4-6-18(17)11-15/h7-8,11,16,19H,2-6,9-10,12-14H2,1H3,(H,23,25)
InChIKeyCSMMECHPLGBVDL-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 115746612
1,1-dimethyl-3-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-3-yl]urea
CID 139013550
2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115775126
N-[2-(hydroxymethyl)cyclopentyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 103751373
2-(3,4-dimethylphenyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509955
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 114506772
N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]acetamide
CID 17421092
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
1-methyl-N-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47043568

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide (CID 154874702) is 2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide is CCC1CN(C(=O)Cc2ccc3c(c2)CCCC3)CCC1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide?
The InChIKey is CSMMECHPLGBVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c1-2-16-14-24(10-9-19(16)23-20(25)13-22)21(26)12-15-7-8-17-5-3-4-6-18(17)11-15/h7-8,11,16,19H,2-6,9-10,12-14H2,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide?
2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide has a molecular weight of 376.93 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-ethyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 154874702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).