(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

C14H27N3O — CID 155200064

IUPAC(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)13-4-6-16(7-5-13)14(18)17-10-8-15(3)9-11-17/h12-13H,4-11H2,1-3H3
InChIKeyLFVGUWAOUAECIQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.72
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone

(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 155200064) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID155200064
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(2)13-4-6-16(7-5-13)14(18)17-10-8-15(3)9-11-17/h12-13H,4-11H2,1-3H3
InChIKeyLFVGUWAOUAECIQ-UHFFFAOYSA-N
XLogP1.72
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone 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

(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
CID 167480116
(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176797082
4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 103500429
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835725
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
[(2R)-2-methylpyrrolidin-1-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 176864232
azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 155200064) is (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is LFVGUWAOUAECIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)13-4-6-16(7-5-13)14(18)17-10-8-15(3)9-11-17/h12-13H,4-11H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 155200064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).