1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one

C17H32N2O — CID 120819076

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one
SMILESCCC(CC1CCCC1)C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C17H32N2O/c1-4-14(11-13-7-5-6-8-13)16(20)19-10-9-15(18)17(2,3)12-19/h13-15H,4-12,18H2,1-3H3
InChIKeyXTPMQPJOMRSSNH-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one (PubChem CID 120819076) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one
PubChem CID120819076
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one
SMILESCCC(CC1CCCC1)C(=O)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C17H32N2O/c1-4-14(11-13-7-5-6-8-13)16(20)19-10-9-15(18)17(2,3)12-19/h13-15H,4-12,18H2,1-3H3
InChIKeyXTPMQPJOMRSSNH-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 651966
3-cyclopentyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)propanamide
CID 976290
N,N-Dimethyl-8-azaspiro[4.5]decane-2-carboxamide
CID 84618275
N-Isopropyl-8-azaspiro[4.5]decane-2-carboxamide
CID 118738742
N-(2,2,6,6-Tetramethyl-4-piperidyl)stearamide
CID 579966
N-[(1-cyclopentylpiperidin-4-yl)methyl]cyclohexanecarboxamide
CID 16895616
5-{[1-(3-Cyclopentylpropanoyl)-4-piperidyl]carbonyl}-1,5-diazacycloundecan-2-one
CID 110201693
3-cyclohexyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 803919
3-cyclohexyl-N-(1-propylpiperidin-4-yl)propanamide
CID 17250115
N-(1-ethylpiperidin-4-yl)cyclopentanecarboxamide
CID 17250295
1-ethyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
CID 80262420
3-cyclopentyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]propan-1-one
CID 93394733

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one (CID 120819076) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one is CCC(CC1CCCC1)C(=O)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one?
The InChIKey is XTPMQPJOMRSSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-14(11-13-7-5-6-8-13)16(20)19-10-9-15(18)17(2,3)12-19/h13-15H,4-12,18H2,1-3H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one is sourced from PubChem (CID 120819076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).