3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one

C14H29N3O — CID 60849525

IUPAC3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)CCNC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-8-16-9-11-17(12-10-16)13(18)6-7-15-14(2,3)4/h15H,5-12H2,1-4H3
InChIKeyLWOSMTUFYYHOJP-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.32
Rot. Bonds5

About 3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one

3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one (PubChem CID 60849525) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one
PubChem CID60849525
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)CCNC(C)(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-5-8-16-9-11-17(12-10-16)13(18)6-7-15-14(2,3)4/h15H,5-12H2,1-4H3
InChIKeyLWOSMTUFYYHOJP-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
1-[4-[3-(tert-butylamino)propanoyl]piperazin-1-yl]-4,4-dimethylpentan-1-one
CID 167119689
3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 61430295
3-(tert-butylamino)-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 60851640
3-(tert-butylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 54873639
4-[3-(tert-butylamino)propanoyl]piperazine-1-sulfonamide
CID 54916794
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
CID 178000242
3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94896146
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one (CID 60849525) is 3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one is CCCN1CCN(C(=O)CCNC(C)(C)C)CC1.
What is the InChIKey of 3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one?
The InChIKey is LWOSMTUFYYHOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-8-16-9-11-17(12-10-16)13(18)6-7-15-14(2,3)4/h15H,5-12H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one?
3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1-(4-propylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 60849525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).