3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide

C16H24N4O2 — CID 134033685

IUPAC3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCN1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c17-16(22)18-15(21)7-10-19-8-4-9-20(12-11-19)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H3,17,18,21,22)
InChIKeyGINOIOYHQRUMAS-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.78
Rot. Bonds5

About 3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide

3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide (PubChem CID 134033685) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
PubChem CID134033685
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCN1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c17-16(22)18-15(21)7-10-19-8-4-9-20(12-11-19)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H3,17,18,21,22)
InChIKeyGINOIOYHQRUMAS-UHFFFAOYSA-N
XLogP0.78
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 46551381
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 113220983
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
CID 43522354
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
3-(4-benzylpiperazin-1-yl)-N'-[2-(2-fluorophenyl)acetyl]propanehydrazide
CID 4869354
3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136714219
3-(4-benzylpiperazin-1-yl)propanimidamide
CID 24689819
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide?
The IUPAC name of 3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide (CID 134033685) is 3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide.
What is the SMILES notation for 3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide?
The canonical SMILES for 3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide is NC(=O)NC(=O)CCN1CCCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide?
The InChIKey is GINOIOYHQRUMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c17-16(22)18-15(21)7-10-19-8-4-9-20(12-11-19)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H3,17,18,21,22).
What are the key properties of 3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide?
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide is sourced from PubChem (CID 134033685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).