4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione

C26H37N3O2 — CID 10342261

IUPAC4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione
SMILESCCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C26H37N3O2/c1-4-13-28(14-5-6-15-29-24(30)17-26(2,3)18-25(29)31)20-9-7-19-8-10-23-21(11-12-27-23)22(19)16-20/h8,10-12,20,27H,4-7,9,13-18H2,1-3H3/t20-/m0/s1
InChIKeyGMWZSACWHHMURD-FQEVSTJZSA-N
MW423.60 g/mol
LogP4.69
Rot. Bonds8

About 4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione

4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione (PubChem CID 10342261) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione
PubChem CID10342261
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione
SMILESCCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C26H37N3O2/c1-4-13-28(14-5-6-15-29-24(30)17-26(2,3)18-25(29)31)20-9-7-19-8-10-23-21(11-12-27-23)22(19)16-20/h8,10-12,20,27H,4-7,9,13-18H2,1-3H3/t20-/m0/s1
InChIKeyGMWZSACWHHMURD-FQEVSTJZSA-N
XLogP4.69
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

8-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)butyl-propylamino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carbonitrile
CID 14950457
N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
CID 13342884
N-prop-2-enyl-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
CID 10378357
N-(cyclobutylmethyl)-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
CID 19041512
8-[4-[[(2R)-5-fluoro-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
CID 45265113
8-(dipropylamino)-1-oxido-6,7,8,9-tetrahydro-3H-benzo[g]indol-2-one
CID 88703612
[(7R)-7-[4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl-propylamino]-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate
CID 10531249
6-[(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexanoic acid
CID 23224897
1-[(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]propan-1-one
CID 54473836
8-[cyclopropylmethyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide
CID 14950451
1-[4-[(7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-1,4-diazepan-2-one
CID 22640233
1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone
CID 19041535

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione (CID 10342261) is 4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione is CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]ccc3c2C1.
What is the InChIKey of 4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione?
The InChIKey is GMWZSACWHHMURD-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-4-13-28(14-5-6-15-29-24(30)17-26(2,3)18-25(29)31)20-9-7-19-8-10-23-21(11-12-27-23)22(19)16-20/h8,10-12,20,27H,4-7,9,13-18H2,1-3H3/t20-/m0/s1.
What are the key properties of 4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione?
4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione has a molecular weight of 423.60 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[4-[propyl-[(8S)-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl]amino]butyl]piperidine-2,6-dione is sourced from PubChem (CID 10342261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).