N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C22H35ClN2O2 — CID 119794620

IUPACN-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(C2OCCCC2CNC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-16-7-9-18(10-8-16)22-20(6-4-12-26-22)15-24-21(25)13-17(2)19-5-3-11-23-14-19;/h7-10,17,19-20,22-23H,3-6,11-15H2,1-2H3,(H,24,25);1H
InChIKeySXWSSNPGMFEBCM-UHFFFAOYSA-N
MW394.99 g/mol
LogP4.03
Rot. Bonds6

About N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119794620) has the molecular formula C22H35ClN2O2 and a molecular weight of 394.99 g/mol. Its IUPAC name is N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119794620
Molecular FormulaC22H35ClN2O2
Molecular Weight394.99 g/mol
Exact Mass394.24
IUPAC NameN-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(C2OCCCC2CNC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C22H34N2O2.ClH/c1-16-7-9-18(10-8-16)22-20(6-4-12-26-22)15-24-21(25)13-17(2)19-5-3-11-23-14-19;/h7-10,17,19-20,22-23H,3-6,11-15H2,1-2H3,(H,24,25);1H
InChIKeySXWSSNPGMFEBCM-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.99
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
CID 81044042
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 119794651
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119329797
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
CID 81049792
2-methyl-3-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-oxopropanoic acid
CID 122065691
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119762185
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[4-(4-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119722670
N-[3-(4-methylphenoxy)propyl]-3-piperidin-3-ylbutanamide
CID 119757253
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119704175
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119794620) is N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride is Cc1ccc(C2OCCCC2CNC(=O)CC(C)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is SXWSSNPGMFEBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2.ClH/c1-16-7-9-18(10-8-16)22-20(6-4-12-26-22)15-24-21(25)13-17(2)19-5-3-11-23-14-19;/h7-10,17,19-20,22-23H,3-6,11-15H2,1-2H3,(H,24,25);1H.
What are the key properties of N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 394.99 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119794620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).