3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C17H32ClN3O2 — CID 120579242

IUPAC3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C17H31N3O2.ClH/c18-11-10-16(21)19-13-15-7-3-4-12-20(15)17(22)9-8-14-5-1-2-6-14;/h14-15H,1-13,18H2,(H,19,21);1H
InChIKeyQHDSHJPXZVXUIZ-UHFFFAOYSA-N
MW345.92 g/mol
LogP2.22
Rot. Bonds7

About 3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579242) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579242
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC Name3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C17H31N3O2.ClH/c18-11-10-16(21)19-13-15-7-3-4-12-20(15)17(22)9-8-14-5-1-2-6-14;/h14-15H,1-13,18H2,(H,19,21);1H
InChIKeyQHDSHJPXZVXUIZ-UHFFFAOYSA-N
XLogP2.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(2-cyclohexylethyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581306
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120578395
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
3-amino-N-[[1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579124
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578616

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579242) is 3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)CCC1CCCC1.
What is the InChIKey of 3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is QHDSHJPXZVXUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c18-11-10-16(21)19-13-15-7-3-4-12-20(15)17(22)9-8-14-5-1-2-6-14;/h14-15H,1-13,18H2,(H,19,21);1H.
What are the key properties of 3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).