N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C16H22N6O3 — CID 120920344

IUPACN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)C2(n3cccn3)CCNCC2)no1
InChIInChI=1S/C16H22N6O3/c1-12-10-13(20-25-12)19-14(23)11-21(2)15(24)16(4-7-17-8-5-16)22-9-3-6-18-22/h3,6,9-10,17H,4-5,7-8,11H2,1-2H3,(H,19,20,23)
InChIKeyPSHMXQMQOKCGJB-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.36
Rot. Bonds5

About N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120920344) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120920344
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)C2(n3cccn3)CCNCC2)no1
InChIInChI=1S/C16H22N6O3/c1-12-10-13(20-25-12)19-14(23)11-21(2)15(24)16(4-7-17-8-5-16)22-9-3-6-18-22/h3,6,9-10,17H,4-5,7-8,11H2,1-2H3,(H,19,20,23)
InChIKeyPSHMXQMQOKCGJB-UHFFFAOYSA-N
XLogP0.36
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918606
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925548
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931021
N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934302
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930880
N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937037
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918668
N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607199
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120920344) is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is Cc1cc(NC(=O)CN(C)C(=O)C2(n3cccn3)CCNCC2)no1.
What is the InChIKey of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is PSHMXQMQOKCGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-12-10-13(20-25-12)19-14(23)11-21(2)15(24)16(4-7-17-8-5-16)22-9-3-6-18-22/h3,6,9-10,17H,4-5,7-8,11H2,1-2H3,(H,19,20,23).
What are the key properties of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120920344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).