2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one

C15H29N3O — CID 106592903

IUPAC2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(C)C(C)C1)C1CCCC(N)C1
InChIInChI=1S/C15H29N3O/c1-11-10-18(8-7-17(11)3)15(19)12(2)13-5-4-6-14(16)9-13/h11-14H,4-10,16H2,1-3H3
InChIKeyKAZHGQLHCJXOTG-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds2

About 2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one

2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one (PubChem CID 106592903) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
PubChem CID106592903
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCN(C)C(C)C1)C1CCCC(N)C1
InChIInChI=1S/C15H29N3O/c1-11-10-18(8-7-17(11)3)15(19)12(2)13-5-4-6-14(16)9-13/h11-14H,4-10,16H2,1-3H3
InChIKeyKAZHGQLHCJXOTG-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(3-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 106592881
1-[2-(3-aminocyclohexyl)propanoyl]piperidine-4-carboxamide
CID 106592610
(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 63634392
2-(3-aminocyclohexyl)-1-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-one
CID 106593039
3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609743
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
CID 165442334
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81469316
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 154650946
3-chloro-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609559
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 63634723
2-(3-aminocyclohexyl)-1-(2-ethylazepan-1-yl)propan-1-one
CID 106593069
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one (CID 106592903) is 2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCN(C)C(C)C1)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one?
The InChIKey is KAZHGQLHCJXOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11-10-18(8-7-17(11)3)15(19)12(2)13-5-4-6-14(16)9-13/h11-14H,4-10,16H2,1-3H3.
What are the key properties of 2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one?
2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 106592903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).