3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C16H25ClN4O3 — CID 120580028

IUPAC3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C16H24N4O3.ClH/c17-7-6-15(21)18-10-12-3-1-2-8-20(12)16(22)13-9-14(23-19-13)11-4-5-11;/h9,11-12H,1-8,10,17H2,(H,18,21);1H
InChIKeyHEKKXAQUADXZHD-UHFFFAOYSA-N
MW356.85 g/mol
LogP1.43
Rot. Bonds6

About 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120580028) has the molecular formula C16H25ClN4O3 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120580028
Molecular FormulaC16H25ClN4O3
Molecular Weight356.85 g/mol
Exact Mass356.16
IUPAC Name3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C16H24N4O3.ClH/c17-7-6-15(21)18-10-12-3-1-2-8-20(12)16(22)13-9-14(23-19-13)11-4-5-11;/h9,11-12H,1-8,10,17H2,(H,18,21);1H
InChIKeyHEKKXAQUADXZHD-UHFFFAOYSA-N
XLogP1.43
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;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-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578645
3-amino-N-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578135
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]acetic acid
CID 61011206
3-amino-N-[[1-(4-cyclohexylbenzoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578206
3-amino-N-[[1-(3,4-dichlorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120578289
3-amino-N-[[1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120579911
5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
CID 120579115
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
3-amino-N-[[1-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120578567
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120580028) is 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)c1cc(C2CC2)on1.
What is the InChIKey of 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is HEKKXAQUADXZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.ClH/c17-7-6-15(21)18-10-12-3-1-2-8-20(12)16(22)13-9-14(23-19-13)11-4-5-11;/h9,11-12H,1-8,10,17H2,(H,18,21);1H.
What are the key properties of 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120580028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).