4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

C24H28Cl2N4O2 — CID 11576501

IUPAC4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H28Cl2N4O2/c25-21-7-6-20(16-22(21)26)27-24(32)30-14-12-29(13-15-30)23(31)19-8-10-28(11-9-19)17-18-4-2-1-3-5-18/h1-7,16,19H,8-15,17H2,(H,27,32)
InChIKeyDHKLMFTVWPYQBG-UHFFFAOYSA-N
MW475.42 g/mol
LogP4.58
Rot. Bonds4

About 4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide

4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 11576501) has the molecular formula C24H28Cl2N4O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID11576501
Molecular FormulaC24H28Cl2N4O2
Molecular Weight475.42 g/mol
Exact Mass474.16
IUPAC Name4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H28Cl2N4O2/c25-21-7-6-20(16-22(21)26)27-24(32)30-14-12-29(13-15-30)23(31)19-8-10-28(11-9-19)17-18-4-2-1-3-5-18/h1-7,16,19H,8-15,17H2,(H,27,32)
InChIKeyDHKLMFTVWPYQBG-UHFFFAOYSA-N
XLogP4.58
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide
CID 5043777
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide
CID 7359826
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
N-(3,4-dichlorophenyl)-4-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11598084
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
4-benzyl-N-[3-chloro-4-[cyclohexyl(methyl)carbamoyl]phenyl]piperazine-1-carboxamide
CID 52665658
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide (CID 11576501) is 4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is DHKLMFTVWPYQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N4O2/c25-21-7-6-20(16-22(21)26)27-24(32)30-14-12-29(13-15-30)23(31)19-8-10-28(11-9-19)17-18-4-2-1-3-5-18/h1-7,16,19H,8-15,17H2,(H,27,32).
What are the key properties of 4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide?
4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 475.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidine-4-carbonyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11576501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).