1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

C25H36N4O3 — CID 56514843

IUPAC1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C25H36N4O3/c1-20-9-5-7-13-28(20)23(31)19-26-15-17-27(18-16-26)25(32)24(21-10-3-2-4-11-21)29-14-8-6-12-22(29)30/h2-4,10-11,20,24H,5-9,12-19H2,1H3
InChIKeyWADAQUKCZZPRSM-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.29
Rot. Bonds5

About 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (PubChem CID 56514843) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
PubChem CID56514843
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C25H36N4O3/c1-20-9-5-7-13-28(20)23(31)19-26-15-17-27(18-16-26)25(32)24(21-10-3-2-4-11-21)29-14-8-6-12-22(29)30/h2-4,10-11,20,24H,5-9,12-19H2,1H3
InChIKeyWADAQUKCZZPRSM-UHFFFAOYSA-N
XLogP2.29
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
CID 95353092
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119623436
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514828
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide
CID 56516350
1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504681
1-[2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56577971
1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-phenylimidazol-1-yl)propan-1-one
CID 75385943
1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56506103
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119663039

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The IUPAC name of 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (CID 56514843) is 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is CC1CCCCN1C(=O)CN1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1.
What is the InChIKey of 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The InChIKey is WADAQUKCZZPRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-20-9-5-7-13-28(20)23(31)19-26-15-17-27(18-16-26)25(32)24(21-10-3-2-4-11-21)29-14-8-6-12-22(29)30/h2-4,10-11,20,24H,5-9,12-19H2,1H3.
What are the key properties of 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one has a molecular weight of 440.59 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 56514843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).