3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide

C18H30N4O2 — CID 45221190

IUPAC3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(2)11-18(23)20-17-3-7-19-22(17)16-4-8-21(9-5-16)12-15-6-10-24-13-15/h3,7,14-16H,4-6,8-13H2,1-2H3,(H,20,23)
InChIKeyYUXYONMCUSCGKB-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.54
Rot. Bonds6

About 3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 45221190) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID45221190
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(2)11-18(23)20-17-3-7-19-22(17)16-4-8-21(9-5-16)12-15-6-10-24-13-15/h3,7,14-16H,4-6,8-13H2,1-2H3,(H,20,23)
InChIKeyYUXYONMCUSCGKB-UHFFFAOYSA-N
XLogP2.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24816873
N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
N-{1-[1-(3-hydroxy-2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45240879
N-(2-cyclopentylpyrazol-3-yl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 45863068
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53532059
2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53590617
N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 84590783
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-(1-{1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 26405004
ethyl 4-{5-[(cyclopentylcarbonyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 42213840
3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45930241
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxolan-3-ylmethyl)pyrazol-3-amine
CID 75498331

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide (CID 45221190) is 3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide is CC(C)CC(=O)Nc1ccnn1C1CCN(CC2CCOC2)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is YUXYONMCUSCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)11-18(23)20-17-3-7-19-22(17)16-4-8-21(9-5-16)12-15-6-10-24-13-15/h3,7,14-16H,4-6,8-13H2,1-2H3,(H,20,23).
What are the key properties of 3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 334.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 45221190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).