[4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

C20H34N4O2 — CID 146101395

IUPAC[4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESCCn1nc(C(=O)N2CCC(CC)(N(C)C)CC2)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C20H34N4O2/c1-7-20(22(5)6)9-11-23(12-10-20)19(25)17-16-13-14(3)26-15(4)18(16)24(8-2)21-17/h14-15H,7-13H2,1-6H3/t14-,15+/m1/s1
InChIKeyFMUPVBLPAVQCMW-CABCVRRESA-N
MW362.52 g/mol
LogP2.87
Rot. Bonds4

About [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

[4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 146101395) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID146101395
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name[4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESCCn1nc(C(=O)N2CCC(CC)(N(C)C)CC2)c2c1[C@H](C)O[C@H](C)C2
InChIInChI=1S/C20H34N4O2/c1-7-20(22(5)6)9-11-23(12-10-20)19(25)17-16-13-14(3)26-15(4)18(16)24(8-2)21-17/h14-15H,7-13H2,1-6H3/t14-,15+/m1/s1
InChIKeyFMUPVBLPAVQCMW-CABCVRRESA-N
XLogP2.87
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The IUPAC name of [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (CID 146101395) is [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The canonical SMILES for [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is CCn1nc(C(=O)N2CCC(CC)(N(C)C)CC2)c2c1[C@H](C)O[C@H](C)C2.
What is the InChIKey of [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is FMUPVBLPAVQCMW-CABCVRRESA-N. The full InChI is InChI=1S/C20H34N4O2/c1-7-20(22(5)6)9-11-23(12-10-20)19(25)17-16-13-14(3)26-15(4)18(16)24(8-2)21-17/h14-15H,7-13H2,1-6H3/t14-,15+/m1/s1.
What are the key properties of [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
[4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone has a molecular weight of 362.52 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-4-ethylpiperidin-1-yl]-[(5R,7S)-1-ethyl-5,7-dimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 146101395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).