N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide

C27H25N3O3 — CID 108730468

IUPACN-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)ccn1
InChIInChI=1S/C27H25N3O3/c1-19(31)29-25-18-23(10-14-28-25)26(32)30-15-12-27(13-16-30)11-9-22-17-21(7-8-24(22)33-27)20-5-3-2-4-6-20/h2-11,14,17-18H,12-13,15-16H2,1H3,(H,28,29,31)
InChIKeyNCUKEDGIIHEGKK-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.79
Rot. Bonds3

About N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide

N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide (PubChem CID 108730468) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide
PubChem CID108730468
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)ccn1
InChIInChI=1S/C27H25N3O3/c1-19(31)29-25-18-23(10-14-28-25)26(32)30-15-12-27(13-16-30)11-9-22-17-21(7-8-24(22)33-27)20-5-3-2-4-6-20/h2-11,14,17-18H,12-13,15-16H2,1H3,(H,28,29,31)
InChIKeyNCUKEDGIIHEGKK-UHFFFAOYSA-N
XLogP4.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 108730474
(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone
CID 108754025
N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 108730414
3-chloro-2,2-dimethyl-1-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propan-1-one
CID 108754007
1-(3,4-dimethylphenyl)-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)butane-1,4-dione
CID 108730448
2-[3-oxo-3-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)propyl]isoindole-1,3-dione
CID 108754046
(E)-3-(2-chlorophenyl)-1-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)prop-2-en-1-one
CID 108754055
2-[4-oxo-4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)butyl]isoindole-1,3-dione
CID 108754045
(3,5-dihydroxy-4-methylphenyl)-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125753
(2-methoxypyrimidin-5-yl)-[(4S)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125230
[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95147443
1'-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]
CID 108773061

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide (CID 108730468) is N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(=O)N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)ccn1.
What is the InChIKey of N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide?
The InChIKey is NCUKEDGIIHEGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-19(31)29-25-18-23(10-14-28-25)26(32)30-15-12-27(13-16-30)11-9-22-17-21(7-8-24(22)33-27)20-5-3-2-4-6-20/h2-11,14,17-18H,12-13,15-16H2,1H3,(H,28,29,31).
What are the key properties of N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide?
N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-phenylspiro[chromene-2,4'-piperidine]-1'-carbonyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 108730468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).