4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide

C24H26N2O3 — CID 25461365

IUPAC4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide
SMILESCC#CC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H26N2O3/c1-2-6-23(27)26-17-14-22(15-18-26)29-21-11-9-20(10-12-21)24(28)25-16-13-19-7-4-3-5-8-19/h3-5,7-12,22H,13-18H2,1H3,(H,25,28)
InChIKeyMVMCSTVEACPWLR-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.05
Rot. Bonds6

About 4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide

4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide (PubChem CID 25461365) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide
PubChem CID25461365
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide
SMILESCC#CC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H26N2O3/c1-2-6-23(27)26-17-14-22(15-18-26)29-21-11-9-20(10-12-21)24(28)25-16-13-19-7-4-3-5-8-19/h3-5,7-12,22H,13-18H2,1H3,(H,25,28)
InChIKeyMVMCSTVEACPWLR-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 45236126
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
CID 25366070
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
CID 25385977
N-[2-(4-cyclopentyloxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788360
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25377416
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
CID 42509021
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100

Frequently Asked Questions

What is the IUPAC name of 4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide (CID 25461365) is 4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide is CC#CC(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1.
What is the InChIKey of 4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide?
The InChIKey is MVMCSTVEACPWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-2-6-23(27)26-17-14-22(15-18-26)29-21-11-9-20(10-12-21)24(28)25-16-13-19-7-4-3-5-8-19/h3-5,7-12,22H,13-18H2,1H3,(H,25,28).
What are the key properties of 4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide?
4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide has a molecular weight of 390.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 25461365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).