N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride

C24H31ClN2O3 — CID 165365092

IUPACN-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2ccc3c(c2)OCO3)CC1.Cl
InChIInChI=1S/C24H30N2O3.ClH/c1-3-24(27)26(20-7-5-4-6-8-20)21-11-13-25(14-12-21)18(2)15-19-9-10-22-23(16-19)29-17-28-22;/h4-10,16,18,21H,3,11-15,17H2,1-2H3;1H
InChIKeyQBVNVSCMMQPVFV-UHFFFAOYSA-N
MW430.98 g/mol
LogP4.68
Rot. Bonds6

About N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride

N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride (PubChem CID 165365092) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride
PubChem CID165365092
Molecular FormulaC24H31ClN2O3
Molecular Weight430.98 g/mol
Exact Mass430.20
IUPAC NameN-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2ccc3c(c2)OCO3)CC1.Cl
InChIInChI=1S/C24H30N2O3.ClH/c1-3-24(27)26(20-7-5-4-6-8-20)21-11-13-25(14-12-21)18(2)15-19-9-10-22-23(16-19)29-17-28-22;/h4-10,16,18,21H,3,11-15,17H2,1-2H3;1H
InChIKeyQBVNVSCMMQPVFV-UHFFFAOYSA-N
XLogP4.68
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-cyclohexyl-N-phenylacetamide
CID 8748303
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 23339066
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 8531578
N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide
CID 53316367
N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide
CID 57246488
N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 90349890
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 86736486
1-(1,3-benzodioxol-5-yl)propan-2-yl 2-aminoacetate;propane
CID 142400293

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride?
The IUPAC name of N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride (CID 165365092) is N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride is CCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2ccc3c(c2)OCO3)CC1.Cl.
What is the InChIKey of N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride?
The InChIKey is QBVNVSCMMQPVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3.ClH/c1-3-24(27)26(20-7-5-4-6-8-20)21-11-13-25(14-12-21)18(2)15-19-9-10-22-23(16-19)29-17-28-22;/h4-10,16,18,21H,3,11-15,17H2,1-2H3;1H.
What are the key properties of N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride?
N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride has a molecular weight of 430.98 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 165365092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).