(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone

C24H46N4O — CID 167480116

IUPAC(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
SMILESCC(C)C1CCN(CCCN2CCN(C(=O)N3CCC(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H46N4O/c1-20(2)22-6-12-25(13-7-22)10-5-11-26-16-18-28(19-17-26)24(29)27-14-8-23(9-15-27)21(3)4/h20-23H,5-19H2,1-4H3
InChIKeyRWLQGKYDQVVQEP-UHFFFAOYSA-N
MW406.66 g/mol
LogP3.85
Rot. Bonds6

About (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone

(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone (PubChem CID 167480116) has the molecular formula C24H46N4O and a molecular weight of 406.66 g/mol. Its IUPAC name is (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
PubChem CID167480116
Molecular FormulaC24H46N4O
Molecular Weight406.66 g/mol
Exact Mass406.37
IUPAC Name(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
SMILESCC(C)C1CCN(CCCN2CCN(C(=O)N3CCC(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H46N4O/c1-20(2)22-6-12-25(13-7-22)10-5-11-26-16-18-28(19-17-26)24(29)27-14-8-23(9-15-27)21(3)4/h20-23H,5-19H2,1-4H3
InChIKeyRWLQGKYDQVVQEP-UHFFFAOYSA-N
XLogP3.85
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.66
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-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

1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
1-(6-chlorohexyl)-4-propan-2-ylpiperidine
CID 103501532
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone?
The IUPAC name of (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone (CID 167480116) is (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone is CC(C)C1CCN(CCCN2CCN(C(=O)N3CCC(C(C)C)CC3)CC2)CC1.
What is the InChIKey of (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone?
The InChIKey is RWLQGKYDQVVQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O/c1-20(2)22-6-12-25(13-7-22)10-5-11-26-16-18-28(19-17-26)24(29)27-14-8-23(9-15-27)21(3)4/h20-23H,5-19H2,1-4H3.
What are the key properties of (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone?
(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone has a molecular weight of 406.66 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 167480116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).