N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide

C15H28N2O — CID 112542085

IUPACN-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCN1CC(CC2CC2)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O/c1-15(2,3)14(18)16-13-8-12(7-11-5-6-11)9-17(4)10-13/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyPECOWKBGGTVFDY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.27
Rot. Bonds3

About N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide

N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 112542085) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
PubChem CID112542085
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
SMILESCN1CC(CC2CC2)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C15H28N2O/c1-15(2,3)14(18)16-13-8-12(7-11-5-6-11)9-17(4)10-13/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyPECOWKBGGTVFDY-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(cyclopropylmethyl)-1-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542144
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]acetamide
CID 112541640
methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542210
ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542221
5-(cyclopropylmethyl)-N,1-dimethylpiperidin-3-amine
CID 83989521
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542096
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-methylpiperidin-3-amine
CID 83998283
2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide
CID 112542110
N-cyclobutyl-3-[3-(2,2-dimethylpropanoylamino)cyclopentyl]-2,2-dimethylpropanamide
CID 135278622
N-[1-(1-cyclopropylethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542431
methyl N-[5-(2-hydroxy-3,3-dimethylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112543000

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide (CID 112542085) is N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide is CN1CC(CC2CC2)CC(NC(=O)C(C)(C)C)C1.
What is the InChIKey of N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is PECOWKBGGTVFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)14(18)16-13-8-12(7-11-5-6-11)9-17(4)10-13/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide?
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 252.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 112542085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).