4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide

C21H32N2O2 — CID 94676201

IUPAC4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESCc1ccccc1C1(C(=O)NCCN2CCCC[C@H]2C)CCOCC1
InChIInChI=1S/C21H32N2O2/c1-17-7-3-4-9-19(17)21(10-15-25-16-11-21)20(24)22-12-14-23-13-6-5-8-18(23)2/h3-4,7,9,18H,5-6,8,10-16H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyUDTVVONVNCJWAT-GOSISDBHSA-N
MW344.50 g/mol
LogP3.03
Rot. Bonds5

About 4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide

4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide (PubChem CID 94676201) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
PubChem CID94676201
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESCc1ccccc1C1(C(=O)NCCN2CCCC[C@H]2C)CCOCC1
InChIInChI=1S/C21H32N2O2/c1-17-7-3-4-9-19(17)21(10-15-25-16-11-21)20(24)22-12-14-23-13-6-5-8-18(23)2/h3-4,7,9,18H,5-6,8,10-16H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyUDTVVONVNCJWAT-GOSISDBHSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide (CID 94676201) is 4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide is Cc1ccccc1C1(C(=O)NCCN2CCCC[C@H]2C)CCOCC1.
What is the InChIKey of 4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
The InChIKey is UDTVVONVNCJWAT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17-7-3-4-9-19(17)21(10-15-25-16-11-21)20(24)22-12-14-23-13-6-5-8-18(23)2/h3-4,7,9,18H,5-6,8,10-16H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide?
4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 94676201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).