2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide

C18H30N4O2 — CID 42243597

IUPAC2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)17(23)20-16-4-9-19-22(16)15-5-10-21(11-6-15)14-7-12-24-13-8-14/h4,9,14-15H,5-8,10-13H2,1-3H3,(H,20,23)
InChIKeyJCUXHDZWZHFDSA-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.68
Rot. Bonds3

About 2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide

2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 42243597) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID42243597
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccnn1C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)17(23)20-16-4-9-19-22(16)15-5-10-21(11-6-15)14-7-12-24-13-8-14/h4,9,14-15H,5-8,10-13H2,1-3H3,(H,20,23)
InChIKeyJCUXHDZWZHFDSA-UHFFFAOYSA-N
XLogP2.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.68
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-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681291
N-(2-cyclohexylpyrazol-3-yl)propanamide
CID 40199343
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'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide
CID 56806727
2-[3-[(4-Methyloxan-4-yl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 86790184

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide (CID 42243597) is 2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide is CC(C)(C)C(=O)Nc1ccnn1C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is JCUXHDZWZHFDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,3)17(23)20-16-4-9-19-22(16)15-5-10-21(11-6-15)14-7-12-24-13-8-14/h4,9,14-15H,5-8,10-13H2,1-3H3,(H,20,23).
What are the key properties of 2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide?
2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[1-(oxan-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 42243597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).