N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride

C17H32ClN3O2 — CID 120820062

IUPACN-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESC[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-12(19-15(21)13-7-5-4-6-8-13)16(22)20-10-9-14(18)17(2,3)11-20;/h12-14H,4-11,18H2,1-3H3,(H,19,21);1H/t12-,14?;/m0./s1
InChIKeyBUTRNFIIVQNLSE-GUDMUQDVSA-N
MW345.92 g/mol
LogP2.08
Rot. Bonds3

About N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride

N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 120820062) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID120820062
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC NameN-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESC[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-12(19-15(21)13-7-5-4-6-8-13)16(22)20-10-9-14(18)17(2,3)11-20;/h12-14H,4-11,18H2,1-3H3,(H,19,21);1H/t12-,14?;/m0./s1
InChIKeyBUTRNFIIVQNLSE-GUDMUQDVSA-N
XLogP2.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
1-[2-(cyclopentanecarbonylamino)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257319
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 120820178
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 154863211
1-[2-(cyclopentanecarbonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119355100
(4-amino-3,3-dimethylpiperidin-1-yl)-cyclobutylmethanone;hydrochloride
CID 120818837
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-cyclohexylsulfonyl-3-methylbutan-1-one
CID 120816612
1-[2-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167781
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide;hydrochloride
CID 120814935
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one
CID 120819076
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide;methane;dihydrate
CID 160503424

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride (CID 120820062) is N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride is C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is BUTRNFIIVQNLSE-GUDMUQDVSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-12(19-15(21)13-7-5-4-6-8-13)16(22)20-10-9-14(18)17(2,3)11-20;/h12-14H,4-11,18H2,1-3H3,(H,19,21);1H/t12-,14?;/m0./s1.
What are the key properties of N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 120820062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).