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

C15H28ClN3O3 — CID 120578616

IUPAC3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CC1CCCO1
InChIInChI=1S/C15H27N3O3.ClH/c16-7-6-14(19)17-11-12-4-1-2-8-18(12)15(20)10-13-5-3-9-21-13;/h12-13H,1-11,16H2,(H,17,19);1H
InChIKeyDDZLKUWBTAAOAR-UHFFFAOYSA-N
MW333.86 g/mol
LogP0.82
Rot. Bonds6

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

3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578616) has the molecular formula C15H28ClN3O3 and a molecular weight of 333.86 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578616
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC Name3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CC1CCCO1
InChIInChI=1S/C15H27N3O3.ClH/c16-7-6-14(19)17-11-12-4-1-2-8-18(12)15(20)10-13-5-3-9-21-13;/h12-13H,1-11,16H2,(H,17,19);1H
InChIKeyDDZLKUWBTAAOAR-UHFFFAOYSA-N
XLogP0.82
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
1-[2-(chloromethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65159488
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
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
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
1-[2-[2-(methylamino)ethyl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160147
N-[[1-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
CID 120578610
N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
CID 120580308

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578616) is 3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)CC1CCCO1.
What is the InChIKey of 3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is DDZLKUWBTAAOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c16-7-6-14(19)17-11-12-4-1-2-8-18(12)15(20)10-13-5-3-9-21-13;/h12-13H,1-11,16H2,(H,17,19);1H.
What are the key properties of 3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(oxolan-2-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).