N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide

C23H27ClN2O2 — CID 42414912

IUPACN-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C23H27ClN2O2/c1-2-16-28-21-12-8-19(9-13-21)23(27)25-17-22(26-14-4-3-5-15-26)18-6-10-20(24)11-7-18/h2,6-13,22H,1,3-5,14-17H2,(H,25,27)/t22-/m0/s1
InChIKeyDXHSFMVTJIRKJT-QFIPXVFZSA-N
MW398.93 g/mol
LogP4.86
Rot. Bonds8

About N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide

N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide (PubChem CID 42414912) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
PubChem CID42414912
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC NameN-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C23H27ClN2O2/c1-2-16-28-21-12-8-19(9-13-21)23(27)25-17-22(26-14-4-3-5-15-26)18-6-10-20(24)11-7-18/h2,6-13,22H,1,3-5,14-17H2,(H,25,27)/t22-/m0/s1
InChIKeyDXHSFMVTJIRKJT-QFIPXVFZSA-N
XLogP4.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 112503883
4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 43843308
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 35574265
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 7496411
3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
CID 24624995
4-chloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 112789965

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide (CID 42414912) is N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide?
The InChIKey is DXHSFMVTJIRKJT-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-2-16-28-21-12-8-19(9-13-21)23(27)25-17-22(26-14-4-3-5-15-26)18-6-10-20(24)11-7-18/h2,6-13,22H,1,3-5,14-17H2,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide?
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide has a molecular weight of 398.93 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 42414912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).