2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide

C14H29N3O — CID 79993821

IUPAC2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CC(C)CC(N)C1
InChIInChI=1S/C14H29N3O/c1-5-13(6-2)16-14(18)11(4)17-8-10(3)7-12(15)9-17/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyXPWTWENVMKFLPV-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds5

About 2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide

2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide (PubChem CID 79993821) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
PubChem CID79993821
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N1CC(C)CC(N)C1
InChIInChI=1S/C14H29N3O/c1-5-13(6-2)16-14(18)11(4)17-8-10(3)7-12(15)9-17/h10-13H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyXPWTWENVMKFLPV-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-(3-amino-5-methylpiperidin-1-yl)-N-propan-2-ylpropanamide
CID 79994470
2-(3-amino-5-methylpiperidin-1-yl)-N-methylpropanamide
CID 79993684
2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 79993020
2-[3-(2-aminoethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63763368
2-(4-hydroxypiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 60719341
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
2-(2-carbamothioylmorpholin-4-yl)-N-pentan-3-ylpropanamide
CID 79680833
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 81494901
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721431

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide (CID 79993821) is 2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N1CC(C)CC(N)C1.
What is the InChIKey of 2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide?
The InChIKey is XPWTWENVMKFLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-13(6-2)16-14(18)11(4)17-8-10(3)7-12(15)9-17/h10-13H,5-9,15H2,1-4H3,(H,16,18).
What are the key properties of 2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide?
2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 79993821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).