2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide

C27H38N2O2 — CID 22049411

IUPAC2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
SMILESCC(C)OC(CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1
InChIInChI=1S/C27H38N2O2/c1-20(2)27(30)28-25-12-8-11-24(19-25)22-13-16-29(17-14-22)18-15-26(31-21(3)4)23-9-6-5-7-10-23/h5-12,19-22,26H,13-18H2,1-4H3,(H,28,30)
InChIKeyQKGGMPQCJMBETN-UHFFFAOYSA-N
MW422.61 g/mol
LogP6.02
Rot. Bonds9

About 2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide

2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide (PubChem CID 22049411) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
PubChem CID22049411
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide
SMILESCC(C)OC(CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1
InChIInChI=1S/C27H38N2O2/c1-20(2)27(30)28-25-12-8-11-24(19-25)22-13-16-29(17-14-22)18-15-26(31-21(3)4)23-9-6-5-7-10-23/h5-12,19-22,26H,13-18H2,1-4H3,(H,28,30)
InChIKeyQKGGMPQCJMBETN-UHFFFAOYSA-N
XLogP6.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide (CID 22049411) is 2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide is CC(C)OC(CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide?
The InChIKey is QKGGMPQCJMBETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-20(2)27(30)28-25-12-8-11-24(19-25)22-13-16-29(17-14-22)18-15-26(31-21(3)4)23-9-6-5-7-10-23/h5-12,19-22,26H,13-18H2,1-4H3,(H,28,30).
What are the key properties of 2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide?
2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide has a molecular weight of 422.61 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-(3-phenyl-3-propan-2-yloxypropyl)piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 22049411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).