2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C20H40N4O — CID 57442415

IUPAC2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCCCN(CCC)C1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H40N4O/c1-5-9-23(10-6-2)19-7-11-21(12-8-19)17-20(25)24-15-13-22(14-16-24)18(3)4/h18-19H,5-17H2,1-4H3
InChIKeyNZYLPGIJGFVMLM-UHFFFAOYSA-N
MW352.57 g/mol
LogP2.13
Rot. Bonds8

About 2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 57442415) has the molecular formula C20H40N4O and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID57442415
Molecular FormulaC20H40N4O
Molecular Weight352.57 g/mol
Exact Mass352.32
IUPAC Name2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCCCN(CCC)C1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H40N4O/c1-5-9-23(10-6-2)19-7-11-21(12-8-19)17-20(25)24-15-13-22(14-16-24)18(3)4/h18-19H,5-17H2,1-4H3
InChIKeyNZYLPGIJGFVMLM-UHFFFAOYSA-N
XLogP2.13
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(Piperidin-1-yl)piperidin-1-yl)ethanone
CID 14571195
1-(Piperidinoacetyl)piperidine
CID 12424322
2-Piperidin-1-yl-1-[4-(2-piperidin-1-yl-acetyl)-piperazin-1-yl]-ethanone
CID 265942
Piperidinium, 1,1'-(1,4-piperazinediylbis(carbonylethylidene))bis(1-methyl-, diiodide
CID 121528
Piperazine, 1-(1-oxo-2-(1-piperidinyl)propyl)-4-(1-oxo-3-(1-piperidinyl)propyl)-, dihydrochloride
CID 24842221
1,2,3-Tri(piperidin-1-yl)butan-1-one
CID 246948
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
1-(1-Acetyl-4-piperidinyl)-4-ethylpiperazine
CID 781966
N,N-dimethyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439627
2-[4-(Methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 50989053
2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
2-(4-Methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 3229438

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 57442415) is 2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CCCN(CCC)C1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is NZYLPGIJGFVMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O/c1-5-9-23(10-6-2)19-7-11-21(12-8-19)17-20(25)24-15-13-22(14-16-24)18(3)4/h18-19H,5-17H2,1-4H3.
What are the key properties of 2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 352.57 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dipropylamino)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).