4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one

C17H33N3O — CID 66430294

IUPAC4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
SMILESCN(C1CCCCCC1)C(CN)CC(=O)N1CCCCC1
InChIInChI=1S/C17H33N3O/c1-19(15-9-5-2-3-6-10-15)16(14-18)13-17(21)20-11-7-4-8-12-20/h15-16H,2-14,18H2,1H3
InChIKeyCMLZNOXVVAVLLT-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.37
Rot. Bonds5

About 4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one

4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one (PubChem CID 66430294) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
PubChem CID66430294
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
SMILESCN(C1CCCCCC1)C(CN)CC(=O)N1CCCCC1
InChIInChI=1S/C17H33N3O/c1-19(15-9-5-2-3-6-10-15)16(14-18)13-17(21)20-11-7-4-8-12-20/h15-16H,2-14,18H2,1H3
InChIKeyCMLZNOXVVAVLLT-UHFFFAOYSA-N
XLogP2.37
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(dimethylamino)-1-piperidin-1-ylbutan-1-one
CID 66430292
4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
CID 66430006
4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432922
4-amino-3-(diethylamino)-1-piperidin-1-ylbutan-1-one
CID 66432336
3-amino-2-[cycloheptyl(methyl)amino]propan-1-ol
CID 104710851
4-amino-3-[butyl(ethyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430497
4-amino-3-[cyclopropylmethyl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66430078
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432111
4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432936
4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430485
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one (CID 66430294) is 4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one is CN(C1CCCCCC1)C(CN)CC(=O)N1CCCCC1.
What is the InChIKey of 4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one?
The InChIKey is CMLZNOXVVAVLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-19(15-9-5-2-3-6-10-15)16(14-18)13-17(21)20-11-7-4-8-12-20/h15-16H,2-14,18H2,1H3.
What are the key properties of 4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one?
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one has a molecular weight of 295.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 66430294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).