3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride

C24H35Cl2N3O2 — CID 119829693

IUPAC3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCOc1ccc(C(CNC(=O)C(C)C(N)c2ccccc2)N2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C24H33N3O2.2ClH/c1-18(23(25)20-9-5-3-6-10-20)24(28)26-17-22(27-15-7-4-8-16-27)19-11-13-21(29-2)14-12-19;;/h3,5-6,9-14,18,22-23H,4,7-8,15-17,25H2,1-2H3,(H,26,28);2*1H
InChIKeyBJTJIVMDOGTMRQ-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.52
Rot. Bonds8

About 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride

3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride (PubChem CID 119829693) has the molecular formula C24H35Cl2N3O2 and a molecular weight of 468.47 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
PubChem CID119829693
Molecular FormulaC24H35Cl2N3O2
Molecular Weight468.47 g/mol
Exact Mass467.21
IUPAC Name3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
SMILESCOc1ccc(C(CNC(=O)C(C)C(N)c2ccccc2)N2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C24H33N3O2.2ClH/c1-18(23(25)20-9-5-3-6-10-20)24(28)26-17-22(27-15-7-4-8-16-27)19-11-13-21(29-2)14-12-19;;/h3,5-6,9-14,18,22-23H,4,7-8,15-17,25H2,1-2H3,(H,26,28);2*1H
InChIKeyBJTJIVMDOGTMRQ-UHFFFAOYSA-N
XLogP4.52
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119849317
2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669308
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
2-amino-3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 81071617
(2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 35345326
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
N-[1-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47016694
(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide
CID 33473833

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride (CID 119829693) is 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride is COc1ccc(C(CNC(=O)C(C)C(N)c2ccccc2)N2CCCCC2)cc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
The InChIKey is BJTJIVMDOGTMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2.2ClH/c1-18(23(25)20-9-5-3-6-10-20)24(28)26-17-22(27-15-7-4-8-16-27)19-11-13-21(29-2)14-12-19;;/h3,5-6,9-14,18,22-23H,4,7-8,15-17,25H2,1-2H3,(H,26,28);2*1H.
What are the key properties of 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride?
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride has a molecular weight of 468.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119829693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).