1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide

C20H28Cl2N4O2 — CID 24748516

IUPAC1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H28Cl2N4O2/c21-17-4-3-16(18(22)13-17)14-24-20(28)26-10-5-15(6-11-26)19(27)23-7-12-25-8-1-2-9-25/h3-4,13,15H,1-2,5-12,14H2,(H,23,27)(H,24,28)
InChIKeyGPUBGWRFNJRFNS-UHFFFAOYSA-N
MW427.38 g/mol
LogP3.13
Rot. Bonds6

About 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide

1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide (PubChem CID 24748516) has the molecular formula C20H28Cl2N4O2 and a molecular weight of 427.38 g/mol. Its IUPAC name is 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide
PubChem CID24748516
Molecular FormulaC20H28Cl2N4O2
Molecular Weight427.38 g/mol
Exact Mass426.16
IUPAC Name1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H28Cl2N4O2/c21-17-4-3-16(18(22)13-17)14-24-20(28)26-10-5-15(6-11-26)19(27)23-7-12-25-8-1-2-9-25/h3-4,13,15H,1-2,5-12,14H2,(H,23,27)(H,24,28)
InChIKeyGPUBGWRFNJRFNS-UHFFFAOYSA-N
XLogP3.13
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

Gsk1370319A
CID 67461788
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CID 4880709
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CID 11529992
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)butyramide
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CID 11580456
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623823
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)propionamide
CID 11659436
(S)-N-(2,4-dichlorobenzyl)-3,3-dimethyl-N-(pyrrolidin-3-yl)butanamide
CID 11660186
(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)cyclobutanecarboxamide
CID 11667017
1-(2,4-Dichlorobenzylcarbamoyl)piperidine-4-carboxylic acid
CID 24748473
N1-(2,4-dichlorobenzyl)-N4-(2-(tetrahydro-2H-pyran-4-yl)ethyl)piperidine-1,4-dicarboxamide
CID 24748515

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide (CID 24748516) is 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide is O=C(NCCN1CCCC1)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide?
The InChIKey is GPUBGWRFNJRFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N4O2/c21-17-4-3-16(18(22)13-17)14-24-20(28)26-10-5-15(6-11-26)19(27)23-7-12-25-8-1-2-9-25/h3-4,13,15H,1-2,5-12,14H2,(H,23,27)(H,24,28).
What are the key properties of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide?
1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide has a molecular weight of 427.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-pyrrolidin-1-ylethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 24748516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).