(2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide

C19H30N2O3 — CID 128989167

IUPAC(2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCC1CCC(=CC(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)CC1
InChIInChI=1S/C19H30N2O3/c1-13-2-4-14(5-3-13)12-17(22)21-9-6-15(7-10-21)18-16(19(20)23)8-11-24-18/h12-13,15-16,18H,2-11H2,1H3,(H2,20,23)/b14-12-/t13?,16-,18+/m0/s1
InChIKeyHNMIZTCHEDIZOY-RVWKKMNFSA-N
MW334.46 g/mol
LogP2.25
Rot. Bonds3

About (2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 128989167) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide
PubChem CID128989167
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name(2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCC1CCC(=CC(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)CC1
InChIInChI=1S/C19H30N2O3/c1-13-2-4-14(5-3-13)12-17(22)21-9-6-15(7-10-21)18-16(19(20)23)8-11-24-18/h12-13,15-16,18H,2-11H2,1H3,(H2,20,23)/b14-12-/t13?,16-,18+/m0/s1
InChIKeyHNMIZTCHEDIZOY-RVWKKMNFSA-N
XLogP2.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide (CID 128989167) is (2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide is CC1CCC(=CC(=O)N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)CC1.
What is the InChIKey of (2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is HNMIZTCHEDIZOY-RVWKKMNFSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13-2-4-14(5-3-13)12-17(22)21-9-6-15(7-10-21)18-16(19(20)23)8-11-24-18/h12-13,15-16,18H,2-11H2,1H3,(H2,20,23)/b14-12-/t13?,16-,18+/m0/s1.
What are the key properties of (2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-[2-(4-methylcyclohexylidene)acetyl]piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128989167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).