1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one

C25H26N2O3 — CID 45487317

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one
SMILESCC(Oc1cccc2ccccc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C25H26N2O3/c1-18-17-26(25(29)21-10-4-3-5-11-21)15-16-27(18)24(28)19(2)30-23-14-8-12-20-9-6-7-13-22(20)23/h3-14,18-19H,15-17H2,1-2H3/t18-,19?/m1/s1
InChIKeyWHKQWNUTAKNCOO-MRTLOADZSA-N
MW402.49 g/mol
LogP3.98
Rot. Bonds4

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one (PubChem CID 45487317) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one
PubChem CID45487317
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one
SMILESCC(Oc1cccc2ccccc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C25H26N2O3/c1-18-17-26(25(29)21-10-4-3-5-11-21)15-16-27(18)24(28)19(2)30-23-14-8-12-20-9-6-7-13-22(20)23/h3-14,18-19H,15-17H2,1-2H3/t18-,19?/m1/s1
InChIKeyWHKQWNUTAKNCOO-MRTLOADZSA-N
XLogP3.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one (CID 45487317) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one is CC(Oc1cccc2ccccc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one?
The InChIKey is WHKQWNUTAKNCOO-MRTLOADZSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-18-17-26(25(29)21-10-4-3-5-11-21)15-16-27(18)24(28)19(2)30-23-14-8-12-20-9-6-7-13-22(20)23/h3-14,18-19H,15-17H2,1-2H3/t18-,19?/m1/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one has a molecular weight of 402.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one is sourced from PubChem (CID 45487317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).