4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide

C22H30Cl2N4O3 — CID 55911674

IUPAC4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H30Cl2N4O3/c1-3-26(4-2)22(31)27-10-7-15(8-11-27)21(30)28-9-5-6-19(28)20(29)25-18-13-16(23)12-17(24)14-18/h12-15,19H,3-11H2,1-2H3,(H,25,29)
InChIKeyXFPXMMXVVSGKIG-UHFFFAOYSA-N
MW469.41 g/mol
LogP4.10
Rot. Bonds5

About 4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide

4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide (PubChem CID 55911674) has the molecular formula C22H30Cl2N4O3 and a molecular weight of 469.41 g/mol. Its IUPAC name is 4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide
PubChem CID55911674
Molecular FormulaC22H30Cl2N4O3
Molecular Weight469.41 g/mol
Exact Mass468.17
IUPAC Name4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H30Cl2N4O3/c1-3-26(4-2)22(31)27-10-7-15(8-11-27)21(30)28-9-5-6-19(28)20(29)25-18-13-16(23)12-17(24)14-18/h12-15,19H,3-11H2,1-2H3,(H,25,29)
InChIKeyXFPXMMXVVSGKIG-UHFFFAOYSA-N
XLogP4.10
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,5-dichlorophenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56923410
1-(1-butylsulfonylpiperidine-4-carbonyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 55777949
N-(3,5-dichlorophenyl)-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120623358
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922996
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
N-(3,5-dichlorophenyl)-1-(2-propylsulfanylacetyl)pyrrolidine-2-carboxamide
CID 55873784
(2S)-N-[4-chloro-3-(ethylcarbamoyl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131920868
1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149500
4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55931672
1-(2-amino-3-methoxypropanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120990196
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide (CID 55911674) is 4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide?
The InChIKey is XFPXMMXVVSGKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30Cl2N4O3/c1-3-26(4-2)22(31)27-10-7-15(8-11-27)21(30)28-9-5-6-19(28)20(29)25-18-13-16(23)12-17(24)14-18/h12-15,19H,3-11H2,1-2H3,(H,25,29).
What are the key properties of 4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide?
4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide has a molecular weight of 469.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidine-1-carbonyl]-N,N-diethylpiperidine-1-carboxamide is sourced from PubChem (CID 55911674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).