N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide

C20H31N3O3 — CID 141116860

IUPACN-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide
SMILESCC(C)(C)ON1CCC(NC(=O)N2CCOCC2)(c2ccccc2)CC1
InChIInChI=1S/C20H31N3O3/c1-19(2,3)26-23-11-9-20(10-12-23,17-7-5-4-6-8-17)21-18(24)22-13-15-25-16-14-22/h4-8H,9-16H2,1-3H3,(H,21,24)
InChIKeyKZNXLHSPUZWCAT-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.75
Rot. Bonds3

About N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide

N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide (PubChem CID 141116860) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide
PubChem CID141116860
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide
SMILESCC(C)(C)ON1CCC(NC(=O)N2CCOCC2)(c2ccccc2)CC1
InChIInChI=1S/C20H31N3O3/c1-19(2,3)26-23-11-9-20(10-12-23,17-7-5-4-6-8-17)21-18(24)22-13-15-25-16-14-22/h4-8H,9-16H2,1-3H3,(H,21,24)
InChIKeyKZNXLHSPUZWCAT-UHFFFAOYSA-N
XLogP2.75
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide (CID 141116860) is N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide is CC(C)(C)ON1CCC(NC(=O)N2CCOCC2)(c2ccccc2)CC1.
What is the InChIKey of N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide?
The InChIKey is KZNXLHSPUZWCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-19(2,3)26-23-11-9-20(10-12-23,17-7-5-4-6-8-17)21-18(24)22-13-15-25-16-14-22/h4-8H,9-16H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide?
N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylpropan-2-yl)oxy]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide is sourced from PubChem (CID 141116860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).