N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride

C23H31ClN2O2 — CID 173411909

IUPACN-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)N(OC(C)c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-19(22-11-7-4-8-12-22)27-25(20(2)26)23-14-17-24(18-15-23)16-13-21-9-5-3-6-10-21;/h3-12,19,23H,13-18H2,1-2H3;1H
InChIKeyXTQVOYFPTDOQJH-UHFFFAOYSA-N
MW402.97 g/mol
LogP4.66
Rot. Bonds7

About N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride

N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride (PubChem CID 173411909) has the molecular formula C23H31ClN2O2 and a molecular weight of 402.97 g/mol. Its IUPAC name is N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride
PubChem CID173411909
Molecular FormulaC23H31ClN2O2
Molecular Weight402.97 g/mol
Exact Mass402.21
IUPAC NameN-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)N(OC(C)c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C23H30N2O2.ClH/c1-19(22-11-7-4-8-12-22)27-25(20(2)26)23-14-17-24(18-15-23)16-13-21-9-5-3-6-10-21;/h3-12,19,23H,13-18H2,1-2H3;1H
InChIKeyXTQVOYFPTDOQJH-UHFFFAOYSA-N
XLogP4.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
N-phenylmethoxy-N-[1-(2-phenylpropyl)piperidin-4-yl]acetamide
CID 23324758
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
2-fluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 11631733
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 139032969
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride (CID 173411909) is N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride is CC(=O)N(OC(C)c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl.
What is the InChIKey of N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride?
The InChIKey is XTQVOYFPTDOQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2.ClH/c1-19(22-11-7-4-8-12-22)27-25(20(2)26)23-14-17-24(18-15-23)16-13-21-9-5-3-6-10-21;/h3-12,19,23H,13-18H2,1-2H3;1H.
What are the key properties of N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride?
N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 173411909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).