(6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide

C18H24N4O2 — CID 124959435

IUPAC(6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@H]1CN(Cc2cccc3[nH]ccc23)CCN(C(C)=O)C1
InChIInChI=1S/C18H24N4O2/c1-13(23)22-9-8-21(11-15(12-22)18(24)19-2)10-14-4-3-5-17-16(14)6-7-20-17/h3-7,15,20H,8-12H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyGNFKSLGJZWVTMI-HNNXBMFYSA-N
MW328.42 g/mol
LogP1.19
Rot. Bonds3

About (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide

(6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide (PubChem CID 124959435) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
PubChem CID124959435
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@H]1CN(Cc2cccc3[nH]ccc23)CCN(C(C)=O)C1
InChIInChI=1S/C18H24N4O2/c1-13(23)22-9-8-21(11-15(12-22)18(24)19-2)10-14-4-3-5-17-16(14)6-7-20-17/h3-7,15,20H,8-12H2,1-2H3,(H,19,24)/t15-/m0/s1
InChIKeyGNFKSLGJZWVTMI-HNNXBMFYSA-N
XLogP1.19
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide with MolForge

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Related Compounds

1-acetyl-4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1,4-diazepane-6-carboxamide
CID 127245448
1-acetyl-N-methyl-4-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-6-carboxamide
CID 127247929
1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide
CID 110107506
1-acetyl-4-(2H-chromen-3-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 127245431
8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131660879
4-[[(3R)-3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl]methyl]-1H-indole
CID 97153671
(6R)-1-[(2-ethoxyphenyl)methyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124991058
4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
1-[(2-ethylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 136534264
cyclopropyl-[(3R,4R)-3-ethyl-4-(1H-indol-4-ylmethylamino)piperidin-1-yl]methanone
CID 97097541
1-acetyl-4-[(2-ethoxyphenyl)methyl]-1,4-diazepane-6-carboxamide
CID 110098469
azepan-1-yl-[(3R)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanone
CID 898620

Frequently Asked Questions

What is the IUPAC name of (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide (CID 124959435) is (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide is CNC(=O)[C@H]1CN(Cc2cccc3[nH]ccc23)CCN(C(C)=O)C1.
What is the InChIKey of (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide?
The InChIKey is GNFKSLGJZWVTMI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(23)22-9-8-21(11-15(12-22)18(24)19-2)10-14-4-3-5-17-16(14)6-7-20-17/h3-7,15,20H,8-12H2,1-2H3,(H,19,24)/t15-/m0/s1.
What are the key properties of (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide?
(6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124959435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).