1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine]

C17H21N3 — CID 14944967

IUPAC1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine]
SMILESCN1CCC2(CC1)Nc1ccccc1Cn1cccc12
InChIInChI=1S/C17H21N3/c1-19-11-8-17(9-12-19)16-7-4-10-20(16)13-14-5-2-3-6-15(14)18-17/h2-7,10,18H,8-9,11-13H2,1H3
InChIKeyBKYAOJHDPCCCLH-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.88
Rot. Bonds

About 1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine]

1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine] (PubChem CID 14944967) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine].

Molecular Properties

Compound Name1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine]
PubChem CID14944967
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine]
SMILESCN1CCC2(CC1)Nc1ccccc1Cn1cccc12
InChIInChI=1S/C17H21N3/c1-19-11-8-17(9-12-19)16-7-4-10-20(16)13-14-5-2-3-6-15(14)18-17/h2-7,10,18H,8-9,11-13H2,1H3
InChIKeyBKYAOJHDPCCCLH-UHFFFAOYSA-N
XLogP2.88
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-methylspiro[1,3-dihydroindole-2,4'-piperidine]
CID 170208528
spiro[5H-pyrrolo[1,2-a]quinoxaline-4,1'-cyclopropane]
CID 154709221
[3-(1,3-dihydroisoindol-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 55142370
5-methyl-1,3,4,6-tetrahydro-1,5-benzodiazocin-2-one
CID 89129772
N-(2-methylpropyl)spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 46357472
[4-(1,3-dihydroisoindol-2-yl)-1-methylazepan-4-yl]methanamine
CID 65075467
(2-methylpyrazol-3-yl)-spiro[2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone
CID 95803627
1-methyl-6,14,17-triazatetracyclo[12.4.0.02,6.08,13]octadeca-2,4,8,10,12-pentaene-17-carboxamide
CID 54547215
1',3-dimethylspiro[1H-quinazoline-2,4'-piperidine]-4-one
CID 134113619
1'-methyl-4-methylidenespiro[1,3-dihydroquinoline-2,4'-piperidine]
CID 142044677
methyl 2-(spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carbonylamino)propanoate
CID 46357467
N-phenylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-carboxamide
CID 53008752

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine]?
The IUPAC name of 1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine] (CID 14944967) is 1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine].
What is the SMILES notation for 1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine]?
The canonical SMILES for 1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine] is CN1CCC2(CC1)Nc1ccccc1Cn1cccc12.
What is the InChIKey of 1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine]?
The InChIKey is BKYAOJHDPCCCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-19-11-8-17(9-12-19)16-7-4-10-20(16)13-14-5-2-3-6-15(14)18-17/h2-7,10,18H,8-9,11-13H2,1H3.
What are the key properties of 1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine]?
1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine] has a molecular weight of 267.38 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[5,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-6,4'-piperidine] is sourced from PubChem (CID 14944967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).