1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one

C15H27N3O2 — CID 60946615

IUPAC1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)C(C)(N)C2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-11(2)10-13(19)17-6-8-18(9-7-17)14(20)15(3,16)12-4-5-12/h11-12H,4-10,16H2,1-3H3
InChIKeyKMFMXOWCEZNQKX-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.83
Rot. Bonds4

About 1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 60946615) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID60946615
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)C(C)(N)C2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-11(2)10-13(19)17-6-8-18(9-7-17)14(20)15(3,16)12-4-5-12/h11-12H,4-10,16H2,1-3H3
InChIKeyKMFMXOWCEZNQKX-UHFFFAOYSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 54873596
4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 60964288
1-(4-tert-butylpiperidin-1-yl)-3-methylbutan-1-one
CID 70657702
methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate
CID 54916371
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
(2R)-2-amino-2-cyclopropyl-1-[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]propan-1-one
CID 125147380
2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid
CID 63877468
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 165439664
2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 81103870
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]butan-1-one
CID 61163008
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one (CID 60946615) is 1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(C(=O)C(C)(N)C2CC2)CC1.
What is the InChIKey of 1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is KMFMXOWCEZNQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)10-13(19)17-6-8-18(9-7-17)14(20)15(3,16)12-4-5-12/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 281.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 60946615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).