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

C14H29N3O — CID 107160660

IUPAC2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N1CCC(C)(CN)CC1
InChIInChI=1S/C14H29N3O/c1-4-5-8-16-13(18)12(2)17-9-6-14(3,11-15)7-10-17/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyHZHRLLNXGXUUTQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds6

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

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide (PubChem CID 107160660) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide
PubChem CID107160660
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)N1CCC(C)(CN)CC1
InChIInChI=1S/C14H29N3O/c1-4-5-8-16-13(18)12(2)17-9-6-14(3,11-15)7-10-17/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyHZHRLLNXGXUUTQ-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-butylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide (CID 107160660) is 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide is CCCCNC(=O)C(C)N1CCC(C)(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide?
The InChIKey is HZHRLLNXGXUUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-5-8-16-13(18)12(2)17-9-6-14(3,11-15)7-10-17/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide?
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 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-butylpropanamide is sourced from PubChem (CID 107160660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).