[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone

C15H29N3O — CID 63337316

IUPAC[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone
SMILESCC(CN)N1CCN(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(12-16)17-8-10-18(11-9-17)15(19)14-6-4-2-3-5-7-14/h13-14H,2-12,16H2,1H3
InChIKeyLAAWMTBCLBVCGR-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.45
Rot. Bonds3

About [4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone

[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone (PubChem CID 63337316) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone.

Molecular Properties

Compound Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone
PubChem CID63337316
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone
SMILESCC(CN)N1CCN(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(12-16)17-8-10-18(11-9-17)15(19)14-6-4-2-3-5-7-14/h13-14H,2-12,16H2,1H3
InChIKeyLAAWMTBCLBVCGR-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 63337916
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]propanamide
CID 47446704
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
CID 82023468
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 114824162
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone?
The IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone (CID 63337316) is [4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone.
What is the SMILES notation for [4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone?
The canonical SMILES for [4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone is CC(CN)N1CCN(C(=O)C2CCCCCC2)CC1.
What is the InChIKey of [4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone?
The InChIKey is LAAWMTBCLBVCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(12-16)17-8-10-18(11-9-17)15(19)14-6-4-2-3-5-7-14/h13-14H,2-12,16H2,1H3.
What are the key properties of [4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone?
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone has a molecular weight of 267.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone is sourced from PubChem (CID 63337316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).