4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide

C22H27N3O2 — CID 108874685

IUPAC4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)CCNC(=O)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-17-6-8-19(9-7-17)21(26)10-11-23-22(27)25-14-12-24(13-15-25)20-5-3-4-18(2)16-20/h3-9,16H,10-15H2,1-2H3,(H,23,27)
InChIKeyIRQFTARQVVUDRV-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.41
Rot. Bonds5

About 4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide

4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide (PubChem CID 108874685) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide
PubChem CID108874685
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)CCNC(=O)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-17-6-8-19(9-7-17)21(26)10-11-23-22(27)25-14-12-24(13-15-25)20-5-3-4-18(2)16-20/h3-9,16H,10-15H2,1-2H3,(H,23,27)
InChIKeyIRQFTARQVVUDRV-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methylphenyl)-3-oxopropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108874684
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
ethyl 4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]piperazine-1-carboxylate
CID 108874727
N-(3-ethoxypropyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 127565527
N-[3-(4-methylphenyl)-3-oxopropyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108874776
4-(4-bromophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-oxobutanamide
CID 46462338
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
5-(4-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-oxopentanamide
CID 55911151
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide (CID 108874685) is 4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide is Cc1ccc(C(=O)CCNC(=O)N2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide?
The InChIKey is IRQFTARQVVUDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-6-8-19(9-7-17)21(26)10-11-23-22(27)25-14-12-24(13-15-25)20-5-3-4-18(2)16-20/h3-9,16H,10-15H2,1-2H3,(H,23,27).
What are the key properties of 4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide?
4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[3-(4-methylphenyl)-3-oxopropyl]piperazine-1-carboxamide is sourced from PubChem (CID 108874685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).