N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C16H27ClN4O3 — CID 119697247

IUPACN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cc(NC(=O)CN(C)C(=O)CC(C)C2CCCNC2)no1.Cl
InChIInChI=1S/C16H26N4O3.ClH/c1-11(13-5-4-6-17-9-13)7-16(22)20(3)10-15(21)18-14-8-12(2)23-19-14;/h8,11,13,17H,4-7,9-10H2,1-3H3,(H,18,19,21);1H
InChIKeyQJLCKPWHJDNZBN-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.83
Rot. Bonds6

About N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119697247) has the molecular formula C16H27ClN4O3 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119697247
Molecular FormulaC16H27ClN4O3
Molecular Weight358.87 g/mol
Exact Mass358.18
IUPAC NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1cc(NC(=O)CN(C)C(=O)CC(C)C2CCCNC2)no1.Cl
InChIInChI=1S/C16H26N4O3.ClH/c1-11(13-5-4-6-17-9-13)7-16(22)20(3)10-15(21)18-14-8-12(2)23-19-14;/h8,11,13,17H,4-7,9-10H2,1-3H3,(H,18,19,21);1H
InChIKeyQJLCKPWHJDNZBN-UHFFFAOYSA-N
XLogP1.83
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride with MolForge

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Related Compounds

N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119727174
2-[ethyl(piperidin-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 63637463
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773757
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
N-methyl-N-[2-(methylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81043953
N-(3,5-dimethylphenyl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743630
3-(cyclopropylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 60946463
2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 119697251
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119275400
N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide
CID 81044534
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119697247) is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride is Cc1cc(NC(=O)CN(C)C(=O)CC(C)C2CCCNC2)no1.Cl.
What is the InChIKey of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is QJLCKPWHJDNZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3.ClH/c1-11(13-5-4-6-17-9-13)7-16(22)20(3)10-15(21)18-14-8-12(2)23-19-14;/h8,11,13,17H,4-7,9-10H2,1-3H3,(H,18,19,21);1H.
What are the key properties of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119697247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).