cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone

C18H21N3O2 — CID 49206253

IUPACcyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H21N3O2/c22-17(13-6-7-13)20-8-3-9-21(11-10-20)18(23)15-12-19-16-5-2-1-4-14(15)16/h1-2,4-5,12-13,19H,3,6-11H2
InChIKeyRMVPNKREQBTAPK-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.25
Rot. Bonds2

About cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone

cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone (PubChem CID 49206253) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
PubChem CID49206253
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Namecyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H21N3O2/c22-17(13-6-7-13)20-8-3-9-21(11-10-20)18(23)15-12-19-16-5-2-1-4-14(15)16/h1-2,4-5,12-13,19H,3,6-11H2
InChIKeyRMVPNKREQBTAPK-UHFFFAOYSA-N
XLogP2.25
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816742
(2S)-2-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 41045642
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 47087719

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone (CID 49206253) is cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone is O=C(c1c[nH]c2ccccc12)N1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is RMVPNKREQBTAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17(13-6-7-13)20-8-3-9-21(11-10-20)18(23)15-12-19-16-5-2-1-4-14(15)16/h1-2,4-5,12-13,19H,3,6-11H2.
What are the key properties of cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone?
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 49206253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).