2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one

C15H29N3O — CID 54873596

IUPAC2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
SMILESCC(C)CCN1CCN(C(=O)C(C)(N)C2CC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)6-7-17-8-10-18(11-9-17)14(19)15(3,16)13-4-5-13/h12-13H,4-11,16H2,1-3H3
InChIKeyMRCHKFOMKCNDBR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds5

About 2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one

2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one (PubChem CID 54873596) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
PubChem CID54873596
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
SMILESCC(C)CCN1CCN(C(=O)C(C)(N)C2CC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)6-7-17-8-10-18(11-9-17)14(19)15(3,16)13-4-5-13/h12-13H,4-11,16H2,1-3H3
InChIKeyMRCHKFOMKCNDBR-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 61265445
(2R)-2-amino-2-cyclopropyl-1-[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]propan-1-one
CID 125147380
1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
CID 60946615
4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 60964288
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
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
(4-aminocyclohexyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 60964122
2-amino-2-cyclopropyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62942113
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid
CID 63877468
2-amino-2-cyclopropyl-6-methylheptan-3-one
CID 116558377

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one (CID 54873596) is 2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one is CC(C)CCN1CCN(C(=O)C(C)(N)C2CC2)CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
The InChIKey is MRCHKFOMKCNDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)6-7-17-8-10-18(11-9-17)14(19)15(3,16)13-4-5-13/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one?
2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 54873596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).