[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

C18H27N3O3 — CID 146100536

IUPAC[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)N2CCC(C3(O)CC3)CC2)[C@H](C)O1
InChIInChI=1S/C18H27N3O3/c1-11-10-14-15(12(2)24-11)19-20(3)16(14)17(22)21-8-4-13(5-9-21)18(23)6-7-18/h11-13,23H,4-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyUXGJXITWFUNGND-NEPJUHHUSA-N
MW333.43 g/mol
LogP1.82
Rot. Bonds2

About [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone

[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (PubChem CID 146100536) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
PubChem CID146100536
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)N2CCC(C3(O)CC3)CC2)[C@H](C)O1
InChIInChI=1S/C18H27N3O3/c1-11-10-14-15(12(2)24-11)19-20(3)16(14)17(22)21-8-4-13(5-9-21)18(23)6-7-18/h11-13,23H,4-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyUXGJXITWFUNGND-NEPJUHHUSA-N
XLogP1.82
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The IUPAC name of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone (CID 146100536) is [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The canonical SMILES for [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is C[C@@H]1Cc2c(nn(C)c2C(=O)N2CCC(C3(O)CC3)CC2)[C@H](C)O1.
What is the InChIKey of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
The InChIKey is UXGJXITWFUNGND-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-11-10-14-15(12(2)24-11)19-20(3)16(14)17(22)21-8-4-13(5-9-21)18(23)6-7-18/h11-13,23H,4-10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone?
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone has a molecular weight of 333.43 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropyl)piperidin-1-yl]-[(5R,7S)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-yl]methanone is sourced from PubChem (CID 146100536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).