2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one

C17H33N3O — CID 65070633

IUPAC2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCN1CCCC(NC2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-17(2,3)16(21)20-12-8-15(9-13-20)18-14-6-5-10-19(4)11-7-14/h14-15,18H,5-13H2,1-4H3
InChIKeyJXMQMJMHNIBCEK-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.10
Rot. Bonds2

About 2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 65070633) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID65070633
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCN1CCCC(NC2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-17(2,3)16(21)20-12-8-15(9-13-20)18-14-6-5-10-19(4)11-7-14/h14-15,18H,5-13H2,1-4H3
InChIKeyJXMQMJMHNIBCEK-UHFFFAOYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 79458862
N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
N-cyclopentyl-1-methylpiperidin-4-amine;dihydrochloride
CID 53408550
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
1-[4-(cyclopentylamino)piperidin-1-yl]ethanone
CID 43222863
2,2-dimethyl-1-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]propan-1-one
CID 115335773
N-methyl-2-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]acetamide
CID 65070563
1-[3-(cyclohexylamino)-5-methylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999265
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119625065

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one (CID 65070633) is 2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one is CN1CCCC(NC2CCN(C(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is JXMQMJMHNIBCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-17(2,3)16(21)20-12-8-15(9-13-20)18-14-6-5-10-19(4)11-7-14/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 295.47 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[(1-methylazepan-4-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 65070633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).