4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

C20H29N3O3 — CID 118739687

IUPAC4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCN(C)C(=O)CC1CC2(CCN(C(=O)N(C)C)CC2)Oc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-21(2)18(24)13-15-14-20(26-17-8-6-5-7-16(15)17)9-11-23(12-10-20)19(25)22(3)4/h5-8,15H,9-14H2,1-4H3
InChIKeyPCWMTAYWVNAYGY-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.55
Rot. Bonds2

About 4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide

4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 118739687) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
PubChem CID118739687
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
SMILESCN(C)C(=O)CC1CC2(CCN(C(=O)N(C)C)CC2)Oc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-21(2)18(24)13-15-14-20(26-17-8-6-5-7-16(15)17)9-11-23(12-10-20)19(25)22(3)4/h5-8,15H,9-14H2,1-4H3
InChIKeyPCWMTAYWVNAYGY-UHFFFAOYSA-N
XLogP2.55
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide (CID 118739687) is 4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is CN(C)C(=O)CC1CC2(CCN(C(=O)N(C)C)CC2)Oc2ccccc21.
What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is PCWMTAYWVNAYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-21(2)18(24)13-15-14-20(26-17-8-6-5-7-16(15)17)9-11-23(12-10-20)19(25)22(3)4/h5-8,15H,9-14H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide?
4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-oxoethyl]-N,N-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 118739687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).