2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide

C14H23N3OS — CID 62832743

IUPAC2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide
SMILESCCC(NC(=O)CN1CCCNCC1)c1cccs1
InChIInChI=1S/C14H23N3OS/c1-2-12(13-5-3-10-19-13)16-14(18)11-17-8-4-6-15-7-9-17/h3,5,10,12,15H,2,4,6-9,11H2,1H3,(H,16,18)
InChIKeyZKZGKNMBZMGCSR-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.61
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide

2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide (PubChem CID 62832743) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide
PubChem CID62832743
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide
SMILESCCC(NC(=O)CN1CCCNCC1)c1cccs1
InChIInChI=1S/C14H23N3OS/c1-2-12(13-5-3-10-19-13)16-14(18)11-17-8-4-6-15-7-9-17/h3,5,10,12,15H,2,4,6-9,11H2,1H3,(H,16,18)
InChIKeyZKZGKNMBZMGCSR-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(1-phenylbutyl)acetamide
CID 62838472
2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862973
2-piperidin-3-yl-N-(1-thiophen-2-ylpropyl)acetamide
CID 62676887
1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325047
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527451
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-(1,4-diazepan-1-yl)-1-thiophen-2-ylethanone;hydrochloride
CID 71645016
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
(3S)-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81139457
2-(1,4-diazepan-1-yl)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 79100773

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide (CID 62832743) is 2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide is CCC(NC(=O)CN1CCCNCC1)c1cccs1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide?
The InChIKey is ZKZGKNMBZMGCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-2-12(13-5-3-10-19-13)16-14(18)11-17-8-4-6-15-7-9-17/h3,5,10,12,15H,2,4,6-9,11H2,1H3,(H,16,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 62832743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).