4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide

C27H33N3O3 — CID 59674625

IUPAC4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C(c1ccc(C(=O)N(CC)CC)cc1)=CC1(CCNCC1)O2
InChIInChI=1S/C27H33N3O3/c1-4-29-25(31)21-11-12-24-22(17-21)23(18-27(33-24)13-15-28-16-14-27)19-7-9-20(10-8-19)26(32)30(5-2)6-3/h7-12,17-18,28H,4-6,13-16H2,1-3H3,(H,29,31)
InChIKeyLJPGWKGPLIAOLJ-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.86
Rot. Bonds6

About 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide

4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide (PubChem CID 59674625) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide.

Molecular Properties

Compound Name4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide
PubChem CID59674625
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide
SMILESCCNC(=O)c1ccc2c(c1)C(c1ccc(C(=O)N(CC)CC)cc1)=CC1(CCNCC1)O2
InChIInChI=1S/C27H33N3O3/c1-4-29-25(31)21-11-12-24-22(17-21)23(18-27(33-24)13-15-28-16-14-27)19-7-9-20(10-8-19)26(32)30(5-2)6-3/h7-12,17-18,28H,4-6,13-16H2,1-3H3,(H,29,31)
InChIKeyLJPGWKGPLIAOLJ-UHFFFAOYSA-N
XLogP3.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Adl-5859
CID 11417954
S33084
CID 9868452
4-(4-((Phenethylamino)methyl)phenoxy)benzamide
CID 44434950
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
N-(3-(trifluoromethyl)benzyl)-4-phenoxybenzamide
CID 11703439
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
4-(Spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 44254503

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide?
The IUPAC name of 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide (CID 59674625) is 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide.
What is the SMILES notation for 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide?
The canonical SMILES for 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide is CCNC(=O)c1ccc2c(c1)C(c1ccc(C(=O)N(CC)CC)cc1)=CC1(CCNCC1)O2.
What is the InChIKey of 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide?
The InChIKey is LJPGWKGPLIAOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-4-29-25(31)21-11-12-24-22(17-21)23(18-27(33-24)13-15-28-16-14-27)19-7-9-20(10-8-19)26(32)30(5-2)6-3/h7-12,17-18,28H,4-6,13-16H2,1-3H3,(H,29,31).
What are the key properties of 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide?
4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide is sourced from PubChem (CID 59674625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).