ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine

C16H36N4O — CID 142549044

IUPACethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine
SMILESCC.CC(=O)N1CCN(C2CCNCC2)CC1.CCCN
InChIInChI=1S/C11H21N3O.C3H9N.C2H6/c1-10(15)13-6-8-14(9-7-13)11-2-4-12-5-3-11;1-2-3-4;1-2/h11-12H,2-9H2,1H3;2-4H2,1H3;1-2H3
InChIKeySWXKCCIPDUXTLA-UHFFFAOYSA-N
MW300.49 g/mol
LogP1.28
Rot. Bonds2

About ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine

ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine (PubChem CID 142549044) has the molecular formula C16H36N4O and a molecular weight of 300.49 g/mol. Its IUPAC name is ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine.

Molecular Properties

Compound Nameethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine
PubChem CID142549044
Molecular FormulaC16H36N4O
Molecular Weight300.49 g/mol
Exact Mass300.29
IUPAC Nameethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine
SMILESCC.CC(=O)N1CCN(C2CCNCC2)CC1.CCCN
InChIInChI=1S/C11H21N3O.C3H9N.C2H6/c1-10(15)13-6-8-14(9-7-13)11-2-4-12-5-3-11;1-2-3-4;1-2/h11-12H,2-9H2,1H3;2-4H2,1H3;1-2H3
InChIKeySWXKCCIPDUXTLA-UHFFFAOYSA-N
XLogP1.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 170084161
(4-ethoxypiperidin-1-yl)-(4-piperidin-4-ylpiperazin-1-yl)methanone;methyl acetate;dihydrochloride
CID 174395615
1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 114239065
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808
3-(4-piperidin-4-ylpiperazin-1-yl)propanamide
CID 174385756
1-piperidin-4-yl-4-propylpiperidine
CID 62199816
N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide
CID 102736375
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
[2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate
CID 151134239
[(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone
CID 170144874

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine?
The IUPAC name of ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine (CID 142549044) is ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine.
What is the SMILES notation for ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine?
The canonical SMILES for ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine is CC.CC(=O)N1CCN(C2CCNCC2)CC1.CCCN.
What is the InChIKey of ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine?
The InChIKey is SWXKCCIPDUXTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C3H9N.C2H6/c1-10(15)13-6-8-14(9-7-13)11-2-4-12-5-3-11;1-2-3-4;1-2/h11-12H,2-9H2,1H3;2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine?
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine is sourced from PubChem (CID 142549044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).