methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate

C13H20N4O3 — CID 71933304

IUPACmethyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)NCc2cn[nH]c2C)C1
InChIInChI=1S/C13H20N4O3/c1-9-11(7-15-16-9)6-14-12(18)10-4-3-5-17(8-10)13(19)20-2/h7,10H,3-6,8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyNUDWVXRCMOYFIP-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.81
Rot. Bonds3

About methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate

methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate (PubChem CID 71933304) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
PubChem CID71933304
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Namemethyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)NCc2cn[nH]c2C)C1
InChIInChI=1S/C13H20N4O3/c1-9-11(7-15-16-9)6-14-12(18)10-4-3-5-17(8-10)13(19)20-2/h7,10H,3-6,8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyNUDWVXRCMOYFIP-UHFFFAOYSA-N
XLogP0.81
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]piperidine-1-carboxamide
CID 53510163
tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 53607259
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
2-Methyl-N-((3-methyl-1h-pyrazol-4-yl)methyl)pentanamide
CID 60767988
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
N-methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 132420402
(1S)-2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 136580628
(3S)-1-ethylsulfonyl-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 164631667
(4S)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpentanamide
CID 164636064
N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71998433
(3R)-N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97574230

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate (CID 71933304) is methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCC(C(=O)NCc2cn[nH]c2C)C1.
What is the InChIKey of methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is NUDWVXRCMOYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-11(7-15-16-9)6-14-12(18)10-4-3-5-17(8-10)13(19)20-2/h7,10H,3-6,8H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate?
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 71933304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).