N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride

C16H29ClN4O3 — CID 120580308

IUPACN-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
SMILESCC(=O)N1CCCC1C(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C16H28N4O3.ClH/c1-12(21)19-10-4-6-14(19)16(23)20-9-3-2-5-13(20)11-18-15(22)7-8-17;/h13-14H,2-11,17H2,1H3,(H,18,22);1H
InChIKeyNDZOTBXOGBFNMF-UHFFFAOYSA-N
MW360.89 g/mol
LogP0.27
Rot. Bonds5

About N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride

N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride (PubChem CID 120580308) has the molecular formula C16H29ClN4O3 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
PubChem CID120580308
Molecular FormulaC16H29ClN4O3
Molecular Weight360.89 g/mol
Exact Mass360.19
IUPAC NameN-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
SMILESCC(=O)N1CCCC1C(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C16H28N4O3.ClH/c1-12(21)19-10-4-6-14(19)16(23)20-9-3-2-5-13(20)11-18-15(22)7-8-17;/h13-14H,2-11,17H2,1H3,(H,18,22);1H
InChIKeyNDZOTBXOGBFNMF-UHFFFAOYSA-N
XLogP0.27
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578758
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579448
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578616
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455
3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578716

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride?
The IUPAC name of N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride (CID 120580308) is N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride.
What is the SMILES notation for N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride?
The canonical SMILES for N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride is CC(=O)N1CCCC1C(=O)N1CCCCC1CNC(=O)CCN.Cl.
What is the InChIKey of N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride?
The InChIKey is NDZOTBXOGBFNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3.ClH/c1-12(21)19-10-4-6-14(19)16(23)20-9-3-2-5-13(20)11-18-15(22)7-8-17;/h13-14H,2-11,17H2,1H3,(H,18,22);1H.
What are the key properties of N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride?
N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride is sourced from PubChem (CID 120580308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).