1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone

C16H21N3O — CID 95726890

IUPAC1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESN[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N3O/c17-13-4-3-8-19(9-7-13)16(20)10-12-11-18-15-6-2-1-5-14(12)15/h1-2,5-6,11,13,18H,3-4,7-10,17H2/t13-/m0/s1
InChIKeyAMGQWOVDYSTGCL-ZDUSSCGKSA-N
MW271.36 g/mol
LogP2.05
Rot. Bonds2

About 1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone

1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 95726890) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID95726890
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESN[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N3O/c17-13-4-3-8-19(9-7-13)16(20)10-12-11-18-15-6-2-1-5-14(12)15/h1-2,5-6,11,13,18H,3-4,7-10,17H2/t13-/m0/s1
InChIKeyAMGQWOVDYSTGCL-ZDUSSCGKSA-N
XLogP2.05
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminoazepan-1-yl)-2-(1H-indol-3-yl)ethanone
CID 56912314
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
2-[(1S,3R)-3-aminocyclohexyl]-1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 167807322
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
1-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 126855901
1-(4-amino-2-methylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 115312222
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone (CID 95726890) is 1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone is N[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is AMGQWOVDYSTGCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O/c17-13-4-3-8-19(9-7-13)16(20)10-12-11-18-15-6-2-1-5-14(12)15/h1-2,5-6,11,13,18H,3-4,7-10,17H2/t13-/m0/s1.
What are the key properties of 1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 95726890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).