N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C18H28N4O2S — CID 56851872

IUPACN-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C2CCSCC2)CC1)C1CCOC1
InChIInChI=1S/C18H28N4O2S/c23-18(14-4-10-24-13-14)20-17-1-7-19-22(17)16-2-8-21(9-3-16)15-5-11-25-12-6-15/h1,7,14-16H,2-6,8-13H2,(H,20,23)
InChIKeyKDNXNDSKGOFXFZ-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.39
Rot. Bonds4

About N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 56851872) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID56851872
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC NameN-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C2CCSCC2)CC1)C1CCOC1
InChIInChI=1S/C18H28N4O2S/c23-18(14-4-10-24-13-14)20-17-1-7-19-22(17)16-2-8-21(9-3-16)15-5-11-25-12-6-15/h1,7,14-16H,2-6,8-13H2,(H,20,23)
InChIKeyKDNXNDSKGOFXFZ-UHFFFAOYSA-N
XLogP2.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-methyl-N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 25373971
N-{1-[1-(1,4-dithiepan-6-yl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 25377892
N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 25384140
2,2-dimethyl-N-{1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 42243597
3-methyl-N-{1-[1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 42392086
N-{1-[1-(1,4-dithiepan-6-yl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-methylbutanamide
CID 42456229
N-(1-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)tetrahydro-3-furancarboxamide
CID 45193714
ethyl 4-{5-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrazol-1-yl}-1,4'-bipiperidine-1'-carboxylate
CID 45210335
3-methyl-N-{1-[1-(tetrahydro-3-furanylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45221190
3-methyl-N-(1-{1-[1-methyl-2-(methylthio)ethyl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 45223252

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 56851872) is N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is O=C(Nc1ccnn1C1CCN(C2CCSCC2)CC1)C1CCOC1.
What is the InChIKey of N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is KDNXNDSKGOFXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c23-18(14-4-10-24-13-14)20-17-1-7-19-22(17)16-2-8-21(9-3-16)15-5-11-25-12-6-15/h1,7,14-16H,2-6,8-13H2,(H,20,23).
What are the key properties of N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 364.52 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 56851872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).