N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride

C23H37ClN2O2 — CID 119805871

IUPACN-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1ccc(CCN(CC2CCCO2)C(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C23H36N2O2.ClH/c1-18-5-7-20(8-6-18)11-14-25(17-22-4-3-15-27-22)23(26)16-19(2)21-9-12-24-13-10-21;/h5-8,19,21-22,24H,3-4,9-17H2,1-2H3;1H
InChIKeyVTRNRDNUWSLEOH-UHFFFAOYSA-N
MW409.01 g/mol
LogP3.99
Rot. Bonds8

About N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119805871) has the molecular formula C23H37ClN2O2 and a molecular weight of 409.01 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119805871
Molecular FormulaC23H37ClN2O2
Molecular Weight409.01 g/mol
Exact Mass408.25
IUPAC NameN-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1ccc(CCN(CC2CCCO2)C(=O)CC(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C23H36N2O2.ClH/c1-18-5-7-20(8-6-18)11-14-25(17-22-4-3-15-27-22)23(26)16-19(2)21-9-12-24-13-10-21;/h5-8,19,21-22,24H,3-4,9-17H2,1-2H3;1H
InChIKeyVTRNRDNUWSLEOH-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.01
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
4-amino-3-methoxy-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
CID 120593485
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119805841
4-[2-(4-methylphenyl)ethyl-(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673914
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 71993854
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935357
N-[2-(4-methylphenyl)ethyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-4-carboxamide
CID 97070355
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-4-methylsulfanyl-N-(oxolan-2-ylmethyl)butanamide
CID 119336274
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119805868
N-cyclopentyl-N-(2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771595
3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 96568637

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119805871) is N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride is Cc1ccc(CCN(CC2CCCO2)C(=O)CC(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is VTRNRDNUWSLEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2.ClH/c1-18-5-7-20(8-6-18)11-14-25(17-22-4-3-15-27-22)23(26)16-19(2)21-9-12-24-13-10-21;/h5-8,19,21-22,24H,3-4,9-17H2,1-2H3;1H.
What are the key properties of N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 409.01 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119805871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).