2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide

C15H31N3O — CID 107160523

IUPAC2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCC(C)(CN)CC1
InChIInChI=1S/C15H31N3O/c1-5-6-12(2)17-14(19)13(3)18-9-7-15(4,11-16)8-10-18/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyMDALQOTVERVDSQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds6

About 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide (PubChem CID 107160523) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide
PubChem CID107160523
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCC(C)(CN)CC1
InChIInChI=1S/C15H31N3O/c1-5-6-12(2)17-14(19)13(3)18-9-7-15(4,11-16)8-10-18/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyMDALQOTVERVDSQ-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-methyl-1-piperidinyl)acetamide hydrochloride
CID 2959553
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
2-Amino-1-(piperidin-1-yl)propan-1-one
CID 3152952
N-(1-acetylpiperidin-3-yl)propanamide
CID 44454221
(3S,6S)-3-[(2S)-butan-2-yl]-6-propan-2-ylpiperazine-2,5-dione
CID 12086127
3,6-Di-sec-butylpiperazine-2,5-dione
CID 3252652
2-methyl-N-(piperidin-3-yl)propanamide
CID 20118171
2-(4-aminopiperidin-1-yl)-N-methylacetamide
CID 18071178
(3S,6S)-3-[(2S)-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 100574378
(6S)-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 45281051

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide (CID 107160523) is 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N1CCC(C)(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide?
The InChIKey is MDALQOTVERVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-6-12(2)17-14(19)13(3)18-9-7-15(4,11-16)8-10-18/h12-13H,5-11,16H2,1-4H3,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide?
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 107160523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).