N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide

C27H44Cl2N4O — CID 118692869

IUPACN-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide
SMILESO=C(CCNCCc1ccc(Cl)c(Cl)c1)N(CCNCCCN1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H44Cl2N4O/c28-25-11-10-23(22-26(25)29)12-15-31-16-13-27(34)33(24-8-3-1-4-9-24)21-17-30-14-7-20-32-18-5-2-6-19-32/h10-11,22,24,30-31H,1-9,12-21H2
InChIKeyACRRBPSGPZFHQR-UHFFFAOYSA-N
MW511.58 g/mol
LogP5.14
Rot. Bonds14

About N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide

N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide (PubChem CID 118692869) has the molecular formula C27H44Cl2N4O and a molecular weight of 511.58 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide
PubChem CID118692869
Molecular FormulaC27H44Cl2N4O
Molecular Weight511.58 g/mol
Exact Mass510.29
IUPAC NameN-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide
SMILESO=C(CCNCCc1ccc(Cl)c(Cl)c1)N(CCNCCCN1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H44Cl2N4O/c28-25-11-10-23(22-26(25)29)12-15-31-16-13-27(34)33(24-8-3-1-4-9-24)21-17-30-14-7-20-32-18-5-2-6-19-32/h10-11,22,24,30-31H,1-9,12-21H2
InChIKeyACRRBPSGPZFHQR-UHFFFAOYSA-N
XLogP5.14
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(threo)2-(3,4-Dichloro-phenyl)-1-[2-(1-dimethylamino-ethyl)-piperidin-1-yl]-ethanone(HCl)
CID 14810989
1-[(4aS,8S,8aS)-8-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 117697800
(+/-)-threo-3'',4''-Dichloromethylphenidate amide
CID 52941144
2-(3,4-dichlorophenyl)-1-[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 14810952
2-(3,4-Dichloro-phenyl)-1-(2-piperidin-1-ylmethyl-piperidin-1-yl)-ethanone
CID 14810957
N-((1S)-3-(4-(2-(3,4-dichlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590586
N-[(1S)-3-[4-[(3,4-dichlorophenyl)methylcarbamoyl-ethyl-amino]-1-piperidyl]-1-phenyl-butyl]cyclobutanecarboxamide
CID 44590720
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 56680282
2-(3,4-Dichloro-phenyl)-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide
CID 6712729
5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10453927
2-(3,4-Dichloro-phenyl)-1-(2-dimethylaminomethyl-piperidin-1-yl)-ethanone
CID 14810949
N-[2-(3,4-dichlorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3,5-dimethylphenyl)acetamide
CID 21994270

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide?
The IUPAC name of N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide (CID 118692869) is N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide is O=C(CCNCCc1ccc(Cl)c(Cl)c1)N(CCNCCCN1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide?
The InChIKey is ACRRBPSGPZFHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44Cl2N4O/c28-25-11-10-23(22-26(25)29)12-15-31-16-13-27(34)33(24-8-3-1-4-9-24)21-17-30-14-7-20-32-18-5-2-6-19-32/h10-11,22,24,30-31H,1-9,12-21H2.
What are the key properties of N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide?
N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide has a molecular weight of 511.58 g/mol, XLogP of 5.14, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(3,4-dichlorophenyl)ethylamino]-N-[2-(3-piperidin-1-ylpropylamino)ethyl]propanamide is sourced from PubChem (CID 118692869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).