2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide

C21H37ClN2O2 — CID 89130945

IUPAC2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide
SMILESCCOC[C@H]1CC[C@@H](N2CCC(N(C(=O)CCl)C3CCCCC3)CC2)C1
InChIInChI=1S/C21H37ClN2O2/c1-2-26-16-17-8-9-20(14-17)23-12-10-19(11-13-23)24(21(25)15-22)18-6-4-3-5-7-18/h17-20H,2-16H2,1H3/t17-,20+/m0/s1
InChIKeySKZATGMBIGBYIZ-FXAWDEMLSA-N
MW384.99 g/mol
LogP4.06
Rot. Bonds7

About 2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide

2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide (PubChem CID 89130945) has the molecular formula C21H37ClN2O2 and a molecular weight of 384.99 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide
PubChem CID89130945
Molecular FormulaC21H37ClN2O2
Molecular Weight384.99 g/mol
Exact Mass384.25
IUPAC Name2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide
SMILESCCOC[C@H]1CC[C@@H](N2CCC(N(C(=O)CCl)C3CCCCC3)CC2)C1
InChIInChI=1S/C21H37ClN2O2/c1-2-26-16-17-8-9-20(14-17)23-12-10-19(11-13-23)24(21(25)15-22)18-6-4-3-5-7-18/h17-20H,2-16H2,1H3/t17-,20+/m0/s1
InChIKeySKZATGMBIGBYIZ-FXAWDEMLSA-N
XLogP4.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.99
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide (CID 89130945) is 2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide is CCOC[C@H]1CC[C@@H](N2CCC(N(C(=O)CCl)C3CCCCC3)CC2)C1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide?
The InChIKey is SKZATGMBIGBYIZ-FXAWDEMLSA-N. The full InChI is InChI=1S/C21H37ClN2O2/c1-2-26-16-17-8-9-20(14-17)23-12-10-19(11-13-23)24(21(25)15-22)18-6-4-3-5-7-18/h17-20H,2-16H2,1H3/t17-,20+/m0/s1.
What are the key properties of 2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide?
2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide has a molecular weight of 384.99 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-[1-[(1R,3S)-3-(ethoxymethyl)cyclopentyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 89130945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).