(3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one

C17H25N5O2 — CID 95728262

IUPAC(3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCc1ccnc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C)CC2)c1
InChIInChI=1S/C17H25N5O2/c1-13-3-4-18-15(11-13)21-7-9-22(10-8-21)16(23)12-14-17(24)19-5-6-20(14)2/h3-4,11,14H,5-10,12H2,1-2H3,(H,19,24)/t14-/m1/s1
InChIKeyMWUZPQZLLSRJGX-CQSZACIVSA-N
MW331.42 g/mol
LogP-0.14
Rot. Bonds3

About (3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one

(3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 95728262) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
PubChem CID95728262
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
SMILESCc1ccnc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C)CC2)c1
InChIInChI=1S/C17H25N5O2/c1-13-3-4-18-15(11-13)21-7-9-22(10-8-21)16(23)12-14-17(24)19-5-6-20(14)2/h3-4,11,14H,5-10,12H2,1-2H3,(H,19,24)/t14-/m1/s1
InChIKeyMWUZPQZLLSRJGX-CQSZACIVSA-N
XLogP-0.14
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

4-ethyl-3-[2-oxo-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethyl]piperazin-2-one
CID 138387188
6-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 75769113
methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
CID 80703579
(3S)-4-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 25487210
2-cyclopentyl-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349489
3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperazin-2-one
CID 45224864
3-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]-4-[(4-methylphenyl)methyl]piperazin-2-one
CID 45191923
2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 137289698
2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 51597136
(3S)-4-methyl-3-[2-oxo-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]piperazin-2-one
CID 26325608
(7R)-6-(4-methylphenyl)-7-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95114135
(3R)-4-(3-methylbut-2-enyl)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 42095648

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of (3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one (CID 95728262) is (3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for (3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one is Cc1ccnc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C)CC2)c1.
What is the InChIKey of (3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is MWUZPQZLLSRJGX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13-3-4-18-15(11-13)21-7-9-22(10-8-21)16(23)12-14-17(24)19-5-6-20(14)2/h3-4,11,14H,5-10,12H2,1-2H3,(H,19,24)/t14-/m1/s1.
What are the key properties of (3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one?
(3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 331.42 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 95728262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).