3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one

C22H32N4O2 — CID 45191923

IUPAC3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C22H32N4O2/c1-17-2-4-19(5-3-17)16-26-9-8-23-22(28)20(26)14-21(27)25-12-10-24(11-13-25)15-18-6-7-18/h2-5,18,20H,6-16H2,1H3,(H,23,28)
InChIKeyQVVCCKNXZKRDSW-UHFFFAOYSA-N
MW384.52 g/mol
LogP1.24
Rot. Bonds6

About 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one

3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one (PubChem CID 45191923) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
PubChem CID45191923
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCNC(=O)C2CC(=O)N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C22H32N4O2/c1-17-2-4-19(5-3-17)16-26-9-8-23-22(28)20(26)14-21(27)25-12-10-24(11-13-25)15-18-6-7-18/h2-5,18,20H,6-16H2,1H3,(H,23,28)
InChIKeyQVVCCKNXZKRDSW-UHFFFAOYSA-N
XLogP1.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

4-[(4-methylphenyl)methyl]-3-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45214722
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
(3R)-3-[2-[4-(2-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 25457354
4-[(4-methylphenyl)methyl]-3-[2-oxo-2-(3-pyridin-4-ylazetidin-1-yl)ethyl]piperazin-2-one
CID 119069940
4-[(4-fluorophenyl)methyl]-3-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45202492
4-[(4-methylphenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
CID 45211142
2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 45169246
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053
N-(1,3-dihydroxypropan-2-yl)-2-[(2S)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95726588
(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95711036
N-(3-hydroxy-3-methylbutyl)-N-methyl-2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95729601

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one (CID 45191923) is 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one is Cc1ccc(CN2CCNC(=O)C2CC(=O)N2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one?
The InChIKey is QVVCCKNXZKRDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-17-2-4-19(5-3-17)16-26-9-8-23-22(28)20(26)14-21(27)25-12-10-24(11-13-25)15-18-6-7-18/h2-5,18,20H,6-16H2,1H3,(H,23,28).
What are the key properties of 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one?
3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one has a molecular weight of 384.52 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 45191923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).