N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide

C26H30N4O3 — CID 143201220

IUPACN-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCC3(CCCNC3=O)C4)cc2)C(=O)C1
InChIInChI=1S/C26H30N4O3/c1-29-13-14-30(23(31)17-29)22-7-5-21(6-8-22)28-24(32)19-3-4-20-16-26(11-9-18(20)15-19)10-2-12-27-25(26)33/h3-8,15H,2,9-14,16-17H2,1H3,(H,27,33)(H,28,32)
InChIKeyDCPYOISNCWDUOY-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.60
Rot. Bonds3

About N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide

N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide (PubChem CID 143201220) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
PubChem CID143201220
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCC3(CCCNC3=O)C4)cc2)C(=O)C1
InChIInChI=1S/C26H30N4O3/c1-29-13-14-30(23(31)17-29)22-7-5-21(6-8-22)28-24(32)19-3-4-20-16-26(11-9-18(20)15-19)10-2-12-27-25(26)33/h3-8,15H,2,9-14,16-17H2,1H3,(H,27,33)(H,28,32)
InChIKeyDCPYOISNCWDUOY-UHFFFAOYSA-N
XLogP2.60
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide?
The IUPAC name of N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide (CID 143201220) is N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide.
What is the SMILES notation for N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide?
The canonical SMILES for N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCC3(CCCNC3=O)C4)cc2)C(=O)C1.
What is the InChIKey of N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide?
The InChIKey is DCPYOISNCWDUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-29-13-14-30(23(31)17-29)22-7-5-21(6-8-22)28-24(32)19-3-4-20-16-26(11-9-18(20)15-19)10-2-12-27-25(26)33/h3-8,15H,2,9-14,16-17H2,1H3,(H,27,33)(H,28,32).
What are the key properties of N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide?
N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide is sourced from PubChem (CID 143201220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).