N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

C23H26N6O2 — CID 112821163

IUPACN-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN1CCC2(CC1)CC(NC(=O)Cc1ccc(-n3cnnn3)cc1)c1ccccc1O2
InChIInChI=1S/C23H26N6O2/c1-28-12-10-23(11-13-28)15-20(19-4-2-3-5-21(19)31-23)25-22(30)14-17-6-8-18(9-7-17)29-16-24-26-27-29/h2-9,16,20H,10-15H2,1H3,(H,25,30)
InChIKeyMUHZAPQHVOGMKD-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.31
Rot. Bonds4

About N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 112821163) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID112821163
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCN1CCC2(CC1)CC(NC(=O)Cc1ccc(-n3cnnn3)cc1)c1ccccc1O2
InChIInChI=1S/C23H26N6O2/c1-28-12-10-23(11-13-28)15-20(19-4-2-3-5-21(19)31-23)25-22(30)14-17-6-8-18(9-7-17)29-16-24-26-27-29/h2-9,16,20H,10-15H2,1H3,(H,25,30)
InChIKeyMUHZAPQHVOGMKD-UHFFFAOYSA-N
XLogP2.31
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide
CID 110212852
N-(1'-ethyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-(tetrazol-1-yl)acetamide
CID 46961198
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 9264917
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 96525299
4-(2-acetamidoethyl)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)benzamide
CID 47014219
N-[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 124628933
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 127499899
2-(4-methyl-1,4-diazepan-1-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 125155552
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2S,4R)-1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl]acetamide
CID 51596542
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 94142976

Frequently Asked Questions

What is the IUPAC name of N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 112821163) is N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is CN1CCC2(CC1)CC(NC(=O)Cc1ccc(-n3cnnn3)cc1)c1ccccc1O2.
What is the InChIKey of N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is MUHZAPQHVOGMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-28-12-10-23(11-13-28)15-20(19-4-2-3-5-21(19)31-23)25-22(30)14-17-6-8-18(9-7-17)29-16-24-26-27-29/h2-9,16,20H,10-15H2,1H3,(H,25,30).
What are the key properties of N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 112821163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).