N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide

C20H29ClN4O2 — CID 23723547

IUPACN-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCCC(N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C20H29ClN4O2/c1-16(26)22-8-7-20(27)25-9-3-6-19(15-25)24-12-10-23(11-13-24)18-5-2-4-17(21)14-18/h2,4-5,14,19H,3,6-13,15H2,1H3,(H,22,26)
InChIKeyRJLHEMSJDHSFBH-UHFFFAOYSA-N
MW392.93 g/mol
LogP1.98
Rot. Bonds5

About N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide

N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 23723547) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide
PubChem CID23723547
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC NameN-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCCC(N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C20H29ClN4O2/c1-16(26)22-8-7-20(27)25-9-3-6-19(15-25)24-12-10-23(11-13-24)18-5-2-4-17(21)14-18/h2,4-5,14,19H,3,6-13,15H2,1H3,(H,22,26)
InChIKeyRJLHEMSJDHSFBH-UHFFFAOYSA-N
XLogP1.98
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide (CID 23723547) is N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCCC(N2CCN(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is RJLHEMSJDHSFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-16(26)22-8-7-20(27)25-9-3-6-19(15-25)24-12-10-23(11-13-24)18-5-2-4-17(21)14-18/h2,4-5,14,19H,3,6-13,15H2,1H3,(H,22,26).
What are the key properties of N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide?
N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 392.93 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 23723547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).