N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide

C16H31N3O — CID 83031263

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESCCN1CCCC1CNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C16H31N3O/c1-4-19-10-6-8-14(19)12-18-15(20)16(2,3)13-7-5-9-17-11-13/h13-14,17H,4-12H2,1-3H3,(H,18,20)
InChIKeyMQMBTRLKUYBZCY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide (PubChem CID 83031263) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
PubChem CID83031263
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
SMILESCCN1CCCC1CNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C16H31N3O/c1-4-19-10-6-8-14(19)12-18-15(20)16(2,3)13-7-5-9-17-11-13/h13-14,17H,4-12H2,1-3H3,(H,18,20)
InChIKeyMQMBTRLKUYBZCY-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119828999
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
CID 79797670
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031256
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83199902
N-[2-(diethylamino)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031262
2-methyl-N-(2-methylbutan-2-yl)-2-piperidin-3-ylpropanamide
CID 83199732
5-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]oxolane-2-carboxylic acid
CID 83199780
2,2-dimethyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanamide
CID 103884926
2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-piperidin-3-ylpropanamide
CID 115881604
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide (CID 83031263) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide is CCN1CCCC1CNC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide?
The InChIKey is MQMBTRLKUYBZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-19-10-6-8-14(19)12-18-15(20)16(2,3)13-7-5-9-17-11-13/h13-14,17H,4-12H2,1-3H3,(H,18,20).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83031263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).