N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide

C13H24N2O — CID 120670741

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2NCCCC2(C)C)CC1
InChIInChI=1S/C13H24N2O/c1-12(2)5-4-8-14-10(12)9-15-11(16)13(3)6-7-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMINQKPASRXTWLY-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.68
Rot. Bonds3

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide

N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 120670741) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID120670741
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2NCCCC2(C)C)CC1
InChIInChI=1S/C13H24N2O/c1-12(2)5-4-8-14-10(12)9-15-11(16)13(3)6-7-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyMINQKPASRXTWLY-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
CID 120670926
tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
CID 130690433
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
CID 114083886
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
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
2-(3,3-dimethylpiperidin-2-yl)acetic acid
CID 10631009
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride
CID 120671038
N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120670986
1-methyl-N-(piperidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106826694
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120670803
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120671060

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (CID 120670741) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCC2NCCCC2(C)C)CC1.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is MINQKPASRXTWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2)5-4-8-14-10(12)9-15-11(16)13(3)6-7-13/h10,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.68, 3 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]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 120670741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).