1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide

C23H33Cl2N3O2 — CID 60589630

IUPAC1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H33Cl2N3O2/c1-17-7-2-4-12-27(17)13-5-3-11-26-22(29)19-8-6-14-28(16-19)23(30)18-9-10-20(24)21(25)15-18/h9-10,15,17,19H,2-8,11-14,16H2,1H3,(H,26,29)
InChIKeyFGDNHRZJMIEIDV-UHFFFAOYSA-N
MW454.44 g/mol
LogP4.62
Rot. Bonds7

About 1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide

1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide (PubChem CID 60589630) has the molecular formula C23H33Cl2N3O2 and a molecular weight of 454.44 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
PubChem CID60589630
Molecular FormulaC23H33Cl2N3O2
Molecular Weight454.44 g/mol
Exact Mass453.19
IUPAC Name1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
SMILESCC1CCCCN1CCCCNC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C23H33Cl2N3O2/c1-17-7-2-4-12-27(17)13-5-3-11-26-22(29)19-8-6-14-28(16-19)23(30)18-9-10-20(24)21(25)15-18/h9-10,15,17,19H,2-8,11-14,16H2,1H3,(H,26,29)
InChIKeyFGDNHRZJMIEIDV-UHFFFAOYSA-N
XLogP4.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78863646
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632873
1-(3,4-dichlorobenzoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55633629
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55631090
1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 9473017
1-(3,4-dichlorobenzoyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 55633427
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
1-(4-chlorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 55708364
1-(4-fluorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 39965506

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide (CID 60589630) is 1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide is CC1CCCCN1CCCCNC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide?
The InChIKey is FGDNHRZJMIEIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33Cl2N3O2/c1-17-7-2-4-12-27(17)13-5-3-11-26-22(29)19-8-6-14-28(16-19)23(30)18-9-10-20(24)21(25)15-18/h9-10,15,17,19H,2-8,11-14,16H2,1H3,(H,26,29).
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide?
1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide has a molecular weight of 454.44 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide is sourced from PubChem (CID 60589630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).