4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide

C26H34N2O3 — CID 143642674

IUPAC4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCOc1cccc2c1C(C1=CC=C(C(=O)N(C(C)C)C(C)C)C1)=CC1(CCNCC1)O2
InChIInChI=1S/C26H34N2O3/c1-17(2)28(18(3)4)25(29)20-10-9-19(15-20)21-16-26(11-13-27-14-12-26)31-23-8-6-7-22(30-5)24(21)23/h6-10,16-18,27H,11-15H2,1-5H3
InChIKeyWCSCJHLDDQDVQU-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.50
Rot. Bonds5

About 4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide

4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 143642674) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID143642674
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCOc1cccc2c1C(C1=CC=C(C(=O)N(C(C)C)C(C)C)C1)=CC1(CCNCC1)O2
InChIInChI=1S/C26H34N2O3/c1-17(2)28(18(3)4)25(29)20-10-9-19(15-20)21-16-26(11-13-27-14-12-26)31-23-8-6-7-22(30-5)24(21)23/h6-10,16-18,27H,11-15H2,1-5H3
InChIKeyWCSCJHLDDQDVQU-UHFFFAOYSA-N
XLogP4.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide
CID 143642631
4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674341
N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide
CID 66696321
N,N-diethyl-5-(8-methoxyspiro[chromene-2,4'-piperidine]-4-yl)pyridine-2-carboxamide
CID 59674662
2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide
CID 59674350
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 97279194
tert-butyl 5-methoxy-4-methylsulfonyloxyspiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 58423641
N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 157142454
4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
methyl 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propanoate
CID 59674678
3-(3H-benzimidazole-5-carbonyl)-5-methoxyspiro[1,3-benzoxazine-2,4'-piperidine]-4-one
CID 67119742
4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol
CID 143642463

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of 4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide (CID 143642674) is 4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for 4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide is COc1cccc2c1C(C1=CC=C(C(=O)N(C(C)C)C(C)C)C1)=CC1(CCNCC1)O2.
What is the InChIKey of 4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is WCSCJHLDDQDVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-17(2)28(18(3)4)25(29)20-10-9-19(15-20)21-16-26(11-13-27-14-12-26)31-23-8-6-7-22(30-5)24(21)23/h6-10,16-18,27H,11-15H2,1-5H3.
What are the key properties of 4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide?
4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 143642674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).