2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide

C16H31N3O — CID 79720600

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)N(C)CC1CCNCC1
InChIInChI=1S/C16H31N3O/c1-12-5-6-13(2)19(12)14(3)16(20)18(4)11-15-7-9-17-10-8-15/h12-15,17H,5-11H2,1-4H3
InChIKeyVGGLHBAXHCRHDP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds4

About 2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide

2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide (PubChem CID 79720600) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
PubChem CID79720600
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)N(C)CC1CCNCC1
InChIInChI=1S/C16H31N3O/c1-12-5-6-13(2)19(12)14(3)16(20)18(4)11-15-7-9-17-10-8-15/h12-15,17H,5-11H2,1-4H3
InChIKeyVGGLHBAXHCRHDP-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-methyl-N-(piperidin-4-ylmethyl)acetamide
CID 103514236
2,2-dicyclopropyl-N-methyl-N-(piperidin-4-ylmethyl)acetamide
CID 112745071
(2R)-2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 99108294
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
2-(2,5-dimethylpyrrolidin-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methylpropanamide
CID 75392163
N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
CID 79720456
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79721124
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
CID 107904481
N-methyl-N-(pyrrolidin-3-ylmethyl)acetamide;hydrochloride
CID 129319655
N,2,4,5-tetramethyl-N-(piperidin-4-ylmethyl)oxolane-3-carboxamide
CID 79720744
2-[2-methylpropyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119930409

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide (CID 79720600) is 2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide is CC1CCC(C)N1C(C)C(=O)N(C)CC1CCNCC1.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
The InChIKey is VGGLHBAXHCRHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-5-6-13(2)19(12)14(3)16(20)18(4)11-15-7-9-17-10-8-15/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide is sourced from PubChem (CID 79720600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).