3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C13H26ClN3O — CID 120980934

IUPAC3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(C)N(CCC(=O)N1CCNCC1)C1CC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-11(2)16(12-3-4-12)8-5-13(17)15-9-6-14-7-10-15;/h11-12,14H,3-10H2,1-2H3;1H
InChIKeyBLQRVXQULIUNCY-UHFFFAOYSA-N
MW275.82 g/mol
LogP1.10
Rot. Bonds5

About 3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980934) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is 3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980934
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC Name3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(C)N(CCC(=O)N1CCNCC1)C1CC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-11(2)16(12-3-4-12)8-5-13(17)15-9-6-14-7-10-15;/h11-12,14H,3-10H2,1-2H3;1H
InChIKeyBLQRVXQULIUNCY-UHFFFAOYSA-N
XLogP1.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980779
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980944
3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 86983873
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981404
3-(dipropylamino)-1-piperazin-1-ylpropan-1-one
CID 39255849
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980934) is 3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CC(C)N(CCC(=O)N1CCNCC1)C1CC1.Cl.
What is the InChIKey of 3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is BLQRVXQULIUNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-11(2)16(12-3-4-12)8-5-13(17)15-9-6-14-7-10-15;/h11-12,14H,3-10H2,1-2H3;1H.
What are the key properties of 3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).