1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride

C22H34Cl4N4O2 — CID 139898814

IUPAC1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(N)CC2)c2ccc(Cl)c(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C22H32Cl2N4O2.2ClH/c1-16(29)27-13-5-17(6-14-27)22(30)28(19-3-4-20(23)21(24)15-19)10-2-9-26-11-7-18(25)8-12-26;;/h3-4,15,17-18H,2,5-14,25H2,1H3;2*1H
InChIKeyDCEKMYVJCKPALT-UHFFFAOYSA-N
MW528.35 g/mol
LogP4.24
Rot. Bonds6

About 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride

1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 139898814) has the molecular formula C22H34Cl4N4O2 and a molecular weight of 528.35 g/mol. Its IUPAC name is 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID139898814
Molecular FormulaC22H34Cl4N4O2
Molecular Weight528.35 g/mol
Exact Mass526.14
IUPAC Name1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(N)CC2)c2ccc(Cl)c(Cl)c2)CC1.Cl.Cl
InChIInChI=1S/C22H32Cl2N4O2.2ClH/c1-16(29)27-13-5-17(6-14-27)22(30)28(19-3-4-20(23)21(24)15-19)10-2-9-26-11-7-18(25)8-12-26;;/h3-4,15,17-18H,2,5-14,25H2,1H3;2*1H
InChIKeyDCEKMYVJCKPALT-UHFFFAOYSA-N
XLogP4.24
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride 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

1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]piperidine-4-carboxamide;dihydrochloride
CID 154701628
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-(4-methylphenyl)sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 139989161
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[[(4-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 70695892
N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 18538908
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 18539007
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 18538900
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[4-[4-(propan-2-ylamino)phenyl]sulfonylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 139989027
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 18538515
1-[2-(2-carbamoylphenoxy)acetyl]-N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 18539231
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[5-(2,4,6-trimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]piperidine-4-carboxamide
CID 91021281
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
CID 18539084
N-[3-[(3aR,6aS)-5-(2,6-dimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 58782534

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride (CID 139898814) is 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride is CC(=O)N1CCC(C(=O)N(CCCN2CCC(N)CC2)c2ccc(Cl)c(Cl)c2)CC1.Cl.Cl.
What is the InChIKey of 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is DCEKMYVJCKPALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32Cl2N4O2.2ClH/c1-16(29)27-13-5-17(6-14-27)22(30)28(19-3-4-20(23)21(24)15-19)10-2-9-26-11-7-18(25)8-12-26;;/h3-4,15,17-18H,2,5-14,25H2,1H3;2*1H.
What are the key properties of 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride?
1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 528.35 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(4-aminopiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 139898814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).