N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide

C24H28Cl4N4O2 — CID 23567564

IUPACN-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H28Cl4N4O2/c1-15(33)30-20-5-8-32(9-6-20)7-4-17(16-2-3-22(27)23(28)10-16)14-29-24(34)31-21-12-18(25)11-19(26)13-21/h2-3,10-13,17,20H,4-9,14H2,1H3,(H,30,33)(H2,29,31,34)
InChIKeyMTKXQVUTONMZJC-UHFFFAOYSA-N
MW546.33 g/mol
LogP6.20
Rot. Bonds8

About N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide

N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide (PubChem CID 23567564) has the molecular formula C24H28Cl4N4O2 and a molecular weight of 546.33 g/mol. Its IUPAC name is N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide
PubChem CID23567564
Molecular FormulaC24H28Cl4N4O2
Molecular Weight546.33 g/mol
Exact Mass544.10
IUPAC NameN-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H28Cl4N4O2/c1-15(33)30-20-5-8-32(9-6-20)7-4-17(16-2-3-22(27)23(28)10-16)14-29-24(34)31-21-12-18(25)11-19(26)13-21/h2-3,10-13,17,20H,4-9,14H2,1H3,(H,30,33)(H2,29,31,34)
InChIKeyMTKXQVUTONMZJC-UHFFFAOYSA-N
XLogP6.20
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.33
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide (CID 23567564) is N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide?
The InChIKey is MTKXQVUTONMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl4N4O2/c1-15(33)30-20-5-8-32(9-6-20)7-4-17(16-2-3-22(27)23(28)10-16)14-29-24(34)31-21-12-18(25)11-19(26)13-21/h2-3,10-13,17,20H,4-9,14H2,1H3,(H,30,33)(H2,29,31,34).
What are the key properties of N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide?
N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide has a molecular weight of 546.33 g/mol, XLogP of 6.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,4-dichlorophenyl)-4-[(3,5-dichlorophenyl)carbamoylamino]butyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 23567564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).