N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride

C12H25ClN2O — CID 120670926

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC1NCCCC1(C)C.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-4-6-11(15)14-9-10-12(2,3)7-5-8-13-10;/h10,13H,4-9H2,1-3H3,(H,14,15);1H
InChIKeyLMOZMUUKNRJRMS-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.10
Rot. Bonds4

About N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride

N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride (PubChem CID 120670926) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
PubChem CID120670926
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC1NCCCC1(C)C.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-4-6-11(15)14-9-10-12(2,3)7-5-8-13-10;/h10,13H,4-9H2,1-3H3,(H,14,15);1H
InChIKeyLMOZMUUKNRJRMS-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
CID 114083886
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 120670741
2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide
CID 114083921
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120670985
tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
CID 130690433
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide;hydrochloride
CID 120670962
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
CID 114083895
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 120670977
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride
CID 120671025
N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120670834
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120670803

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride (CID 120670926) is N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride is CCCC(=O)NCC1NCCCC1(C)C.Cl.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride?
The InChIKey is LMOZMUUKNRJRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-4-6-11(15)14-9-10-12(2,3)7-5-8-13-10;/h10,13H,4-9H2,1-3H3,(H,14,15);1H.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride?
N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 120670926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).