N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide

C23H30Cl2N4O3 — CID 112830933

IUPACN-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCCN1C(=O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C23H30Cl2N4O3/c24-17-8-9-19(18(25)14-17)26-21(30)20-7-1-2-13-29(20)22(31)16-6-5-12-28(15-16)23(32)27-10-3-4-11-27/h8-9,14,16,20H,1-7,10-13,15H2,(H,26,30)
InChIKeyCIALCDMCFLYMFQ-UHFFFAOYSA-N
MW481.42 g/mol
LogP4.24
Rot. Bonds3

About N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide

N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide (PubChem CID 112830933) has the molecular formula C23H30Cl2N4O3 and a molecular weight of 481.42 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
PubChem CID112830933
Molecular FormulaC23H30Cl2N4O3
Molecular Weight481.42 g/mol
Exact Mass480.17
IUPAC NameN-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCCN1C(=O)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C23H30Cl2N4O3/c24-17-8-9-19(18(25)14-17)26-21(30)20-7-1-2-13-29(20)22(31)16-6-5-12-28(15-16)23(32)27-10-3-4-11-27/h8-9,14,16,20H,1-7,10-13,15H2,(H,26,30)
InChIKeyCIALCDMCFLYMFQ-UHFFFAOYSA-N
XLogP4.24
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906
N-(2,4-dichlorophenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150113
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide (CID 112830933) is N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCCCN1C(=O)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide?
The InChIKey is CIALCDMCFLYMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N4O3/c24-17-8-9-19(18(25)14-17)26-21(30)20-7-1-2-13-29(20)22(31)16-6-5-12-28(15-16)23(32)27-10-3-4-11-27/h8-9,14,16,20H,1-7,10-13,15H2,(H,26,30).
What are the key properties of N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide has a molecular weight of 481.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 112830933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).