2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide

C12H22N4O2 — CID 54873492

IUPAC2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)CNC2CC2)CC1
InChIInChI=1S/C12H22N4O2/c13-11(17)9-15-4-1-5-16(7-6-15)12(18)8-14-10-2-3-10/h10,14H,1-9H2,(H2,13,17)
InChIKeyOFLHKKLFLXNILG-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.24
Rot. Bonds5

About 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide

2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 54873492) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide
PubChem CID54873492
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide
SMILESNC(=O)CN1CCCN(C(=O)CNC2CC2)CC1
InChIInChI=1S/C12H22N4O2/c13-11(17)9-15-4-1-5-16(7-6-15)12(18)8-14-10-2-3-10/h10,14H,1-9H2,(H2,13,17)
InChIKeyOFLHKKLFLXNILG-UHFFFAOYSA-N
XLogP-1.24
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 60963214
2-[4-[2-(cyclopentylamino)acetyl]piperazin-1-yl]acetic acid
CID 61161596
2-[4-[2-(butan-2-ylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 54873506
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidine-1-carboxamide
CID 113352679
2-(azetidin-1-yl)acetamide
CID 18923030
2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108993559
2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide
CID 95159173
3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile
CID 115348021
2-[4-(2-bromobutanoyl)-1,4-diazepan-1-yl]acetamide
CID 62855599
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 60977352
2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 54873622

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide (CID 54873492) is 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide is NC(=O)CN1CCCN(C(=O)CNC2CC2)CC1.
What is the InChIKey of 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is OFLHKKLFLXNILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c13-11(17)9-15-4-1-5-16(7-6-15)12(18)8-14-10-2-3-10/h10,14H,1-9H2,(H2,13,17).
What are the key properties of 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide?
2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 254.33 g/mol, XLogP of -1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylamino)acetyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 54873492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).