(3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C23H38N4O2 — CID 26322714

IUPAC(3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC1(C)CC(N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)CC(C)(C)C1
InChIInChI=1S/C23H38N4O2/c1-22(2)13-19(14-23(3,4)16-22)26-10-6-18(7-11-26)27-20(5-9-24-27)25-21(28)17-8-12-29-15-17/h5,9,17-19H,6-8,10-16H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeyONPPEXUIOHGOPL-QGZVFWFLSA-N
MW402.58 g/mol
LogP4.10
Rot. Bonds4

About (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

(3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 26322714) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID26322714
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC Name(3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESCC1(C)CC(N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)CC(C)(C)C1
InChIInChI=1S/C23H38N4O2/c1-22(2)13-19(14-23(3,4)16-22)26-10-6-18(7-11-26)27-20(5-9-24-27)25-21(28)17-8-12-29-15-17/h5,9,17-19H,6-8,10-16H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeyONPPEXUIOHGOPL-QGZVFWFLSA-N
XLogP4.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide with MolForge

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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
2,2-dimethyl-N-{1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1H-pyrazol-5-yl}propanamide
CID 42243597
N-(1-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)tetrahydro-3-furancarboxamide
CID 45193714
N-{1-[1-(1-adamantylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45203039
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
N-{1-[1-(2,2-dimethylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45228305
N-{1-[1-(cyclohexylcarbonyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45236958
N-{1-[1-(3-methyl-2-buten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 45244300
N-[2-[1-(thian-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 56851872

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 26322714) is (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is CC1(C)CC(N2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)CC(C)(C)C1.
What is the InChIKey of (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is ONPPEXUIOHGOPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-22(2)13-19(14-23(3,4)16-22)26-10-6-18(7-11-26)27-20(5-9-24-27)25-21(28)17-8-12-29-15-17/h5,9,17-19H,6-8,10-16H2,1-4H3,(H,25,28)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
(3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 26322714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).