N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide

C19H29N3O3 — CID 51102311

IUPACN,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide
SMILESCCc1ccc(O)c(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-4-15-7-8-17(23)16(13-15)19(25)22-11-9-20(10-12-22)14-18(24)21(5-2)6-3/h7-8,13,23H,4-6,9-12,14H2,1-3H3
InChIKeyQDQPJBRZWXLCTO-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.58
Rot. Bonds6

About N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide

N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 51102311) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide
PubChem CID51102311
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide
SMILESCCc1ccc(O)c(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)c1
InChIInChI=1S/C19H29N3O3/c1-4-15-7-8-17(23)16(13-15)19(25)22-11-9-20(10-12-22)14-18(24)21(5-2)6-3/h7-8,13,23H,4-6,9-12,14H2,1-3H3
InChIKeyQDQPJBRZWXLCTO-UHFFFAOYSA-N
XLogP1.58
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide (CID 51102311) is N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide is CCc1ccc(O)c(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)c1.
What is the InChIKey of N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is QDQPJBRZWXLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-15-7-8-17(23)16(13-15)19(25)22-11-9-20(10-12-22)14-18(24)21(5-2)6-3/h7-8,13,23H,4-6,9-12,14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 51102311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).