2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide

C16H31N3O — CID 120775751

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H31N3O/c1-12(15(20)18-13-7-5-4-6-8-13)19-10-9-14(17)16(2,3)11-19/h12-14H,4-11,17H2,1-3H3,(H,18,20)
InChIKeyHABOJVOQLINSFV-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide (PubChem CID 120775751) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
PubChem CID120775751
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H31N3O/c1-12(15(20)18-13-7-5-4-6-8-13)19-10-9-14(17)16(2,3)11-19/h12-14H,4-11,17H2,1-3H3,(H,18,20)
InChIKeyHABOJVOQLINSFV-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 120775612
3-amino-1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 107324286
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 120776022
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
CID 120775078
2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120774297
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-bromophenyl)propanamide;hydrochloride
CID 120776287
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3-methylpiperidine-3-carboxylic acid
CID 63136783
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide
CID 120775712
N-cyclohexyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305201

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide (CID 120775751) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide?
The InChIKey is HABOJVOQLINSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(15(20)18-13-7-5-4-6-8-13)19-10-9-14(17)16(2,3)11-19/h12-14H,4-11,17H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide is sourced from PubChem (CID 120775751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).