4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide

C28H34N2O2 — CID 59674697

IUPAC4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCN(CC4CC4)CC3)Oc3ccccc32)cc1
InChIInChI=1S/C28H34N2O2/c1-3-30(4-2)27(31)23-13-11-22(12-14-23)25-19-28(32-26-8-6-5-7-24(25)26)15-17-29(18-16-28)20-21-9-10-21/h5-8,11-14,19,21H,3-4,9-10,15-18,20H2,1-2H3
InChIKeyADWPBIMJFWLLMJ-UHFFFAOYSA-N
MW430.59 g/mol
LogP5.24
Rot. Bonds6

About 4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide

4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide (PubChem CID 59674697) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide
PubChem CID59674697
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2=CC3(CCN(CC4CC4)CC3)Oc3ccccc32)cc1
InChIInChI=1S/C28H34N2O2/c1-3-30(4-2)27(31)23-13-11-22(12-14-23)25-19-28(32-26-8-6-5-7-24(25)26)15-17-29(18-16-28)20-21-9-10-21/h5-8,11-14,19,21H,3-4,9-10,15-18,20H2,1-2H3
InChIKeyADWPBIMJFWLLMJ-UHFFFAOYSA-N
XLogP5.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide (CID 59674697) is 4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C2=CC3(CCN(CC4CC4)CC3)Oc3ccccc32)cc1.
What is the InChIKey of 4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide?
The InChIKey is ADWPBIMJFWLLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-3-30(4-2)27(31)23-13-11-22(12-14-23)25-19-28(32-26-8-6-5-7-24(25)26)15-17-29(18-16-28)20-21-9-10-21/h5-8,11-14,19,21H,3-4,9-10,15-18,20H2,1-2H3.
What are the key properties of 4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide?
4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide has a molecular weight of 430.59 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 59674697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).