N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride

C33H38Cl3N3O3 — CID 19692485

IUPACN-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)NC1(c2ccccc2)CCN(CCOC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1.Cl
InChIInChI=1S/C33H37Cl2N3O3.ClH/c1-25(39)36-32(27-10-6-3-7-11-27)16-18-37(19-17-32)20-21-41-33(28-12-13-29(34)30(35)22-28)15-14-31(40)38(24-33)23-26-8-4-2-5-9-26;/h2-13,22H,14-21,23-24H2,1H3,(H,36,39);1H
InChIKeyVSQTULAOQPLRKP-UHFFFAOYSA-N
MW631.04 g/mol
LogP6.58
Rot. Bonds9

About N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride

N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride (PubChem CID 19692485) has the molecular formula C33H38Cl3N3O3 and a molecular weight of 631.04 g/mol. Its IUPAC name is N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride
PubChem CID19692485
Molecular FormulaC33H38Cl3N3O3
Molecular Weight631.04 g/mol
Exact Mass629.20
IUPAC NameN-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride
SMILESCC(=O)NC1(c2ccccc2)CCN(CCOC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1.Cl
InChIInChI=1S/C33H37Cl2N3O3.ClH/c1-25(39)36-32(27-10-6-3-7-11-27)16-18-37(19-17-32)20-21-41-33(28-12-13-29(34)30(35)22-28)15-14-31(40)38(24-33)23-26-8-4-2-5-9-26;/h2-13,22H,14-21,23-24H2,1H3,(H,36,39);1H
InChIKeyVSQTULAOQPLRKP-UHFFFAOYSA-N
XLogP6.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.04
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-(3,4-dichlorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]piperidin-2-one
CID 19692506
N-[1-[2-[4-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-oxomorpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide
CID 67013731
[3-(4-acetamido-4-phenylpiperidin-1-yl)-1-(3,4-dichlorophenyl)propyl] 3-phenylpropanoate
CID 54080014
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]acetamide;hydrate;hydrochloride
CID 21200580
N-[5-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-N-methyl-2-phenylacetamide;hydrochloride
CID 70181188
cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 142777906
8-[2-[1-acetyl-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]oxyethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10392250
N-[2-[2-(4-acetamido-4-phenylpiperidin-1-yl)ethyl-methylamino]-2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-phenylacetamide;dihydrochloride
CID 19692454
N-[1-[[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methyl]-4-phenylpiperidin-4-yl]acetamide
CID 67422380
1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
CID 54112515
N-[1-benzyl-4-(3-fluorophenyl)piperidin-4-yl]acetamide
CID 68830269
4-benzyl-6-(3,4-dichlorophenyl)-6-[2-[4-phenyl-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]morpholin-3-one;hydrate;hydrochloride
CID 21200511

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride?
The IUPAC name of N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride (CID 19692485) is N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride?
The canonical SMILES for N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride is CC(=O)NC1(c2ccccc2)CCN(CCOC2(c3ccc(Cl)c(Cl)c3)CCC(=O)N(Cc3ccccc3)C2)CC1.Cl.
What is the InChIKey of N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride?
The InChIKey is VSQTULAOQPLRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37Cl2N3O3.ClH/c1-25(39)36-32(27-10-6-3-7-11-27)16-18-37(19-17-32)20-21-41-33(28-12-13-29(34)30(35)22-28)15-14-31(40)38(24-33)23-26-8-4-2-5-9-26;/h2-13,22H,14-21,23-24H2,1H3,(H,36,39);1H.
What are the key properties of N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride?
N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride has a molecular weight of 631.04 g/mol, XLogP of 6.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]oxyethyl]-4-phenylpiperidin-4-yl]acetamide;hydrochloride is sourced from PubChem (CID 19692485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).