(6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide

C17H30N4O3 — CID 124974127

IUPAC(6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)CN2CCCCCC2)C1
InChIInChI=1S/C17H30N4O3/c1-14(22)20-9-10-21(12-15(11-20)17(24)18-2)16(23)13-19-7-5-3-4-6-8-19/h15H,3-13H2,1-2H3,(H,18,24)/t15-/m0/s1
InChIKeyKOOHYJIWQMBGRQ-HNNXBMFYSA-N
MW338.45 g/mol
LogP-0.08
Rot. Bonds3

About (6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide

(6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide (PubChem CID 124974127) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is (6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide
PubChem CID124974127
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name(6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)CN2CCCCCC2)C1
InChIInChI=1S/C17H30N4O3/c1-14(22)20-9-10-21(12-15(11-20)17(24)18-2)16(23)13-19-7-5-3-4-6-8-19/h15H,3-13H2,1-2H3,(H,18,24)/t15-/m0/s1
InChIKeyKOOHYJIWQMBGRQ-HNNXBMFYSA-N
XLogP-0.08
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-1-acetyl-4-[2-(methanesulfonamido)acetyl]-N-methyl-1,4-diazepane-6-carboxamide
CID 124981885
(6R)-1-acetyl-4-(cyclopentanecarbonyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 124995488
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
N-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 42542173
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
1-acetyl-N-methyl-4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane-6-carboxamide
CID 110107506
1-acetyl-N-methyl-4-(1,3-thiazol-5-ylmethyl)-1,4-diazepane-6-carboxamide
CID 127247929
2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone
CID 177010544
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264

Frequently Asked Questions

What is the IUPAC name of (6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide (CID 124974127) is (6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide is CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)CN2CCCCCC2)C1.
What is the InChIKey of (6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide?
The InChIKey is KOOHYJIWQMBGRQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-14(22)20-9-10-21(12-15(11-20)17(24)18-2)16(23)13-19-7-5-3-4-6-8-19/h15H,3-13H2,1-2H3,(H,18,24)/t15-/m0/s1.
What are the key properties of (6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide?
(6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide has a molecular weight of 338.45 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-acetyl-4-[2-(azepan-1-yl)acetyl]-N-methyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124974127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).