N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide

C26H23N3O4 — CID 108554022

IUPACN-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H23N3O4/c30-23(16-29-25(32)21-9-3-4-10-22(21)26(29)33)28-14-12-18(13-15-28)27-24(31)20-11-5-7-17-6-1-2-8-19(17)20/h1-11,18H,12-16H2,(H,27,31)
InChIKeyNDAXKSFIPVHFHF-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.86
Rot. Bonds4

About N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide

N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide (PubChem CID 108554022) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
PubChem CID108554022
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
SMILESO=C(NC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H23N3O4/c30-23(16-29-25(32)21-9-3-4-10-22(21)26(29)33)28-14-12-18(13-15-28)27-24(31)20-11-5-7-17-6-1-2-8-19(17)20/h1-11,18H,12-16H2,(H,27,31)
InChIKeyNDAXKSFIPVHFHF-UHFFFAOYSA-N
XLogP2.86
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554058
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119562529
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554067
N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554034
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554046
3-cyclohexyl-N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]propanamide
CID 108555684
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide (CID 108554022) is N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide is O=C(NC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
The InChIKey is NDAXKSFIPVHFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c30-23(16-29-25(32)21-9-3-4-10-22(21)26(29)33)28-14-12-18(13-15-28)27-24(31)20-11-5-7-17-6-1-2-8-19(17)20/h1-11,18H,12-16H2,(H,27,31).
What are the key properties of N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide?
N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 108554022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).