4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one

C17H22N2O2 — CID 29184258

IUPAC4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one
SMILESO=C(Cc1ccccc1)N1CCC(=O)N(CC2CC2)CC1
InChIInChI=1S/C17H22N2O2/c20-16-8-9-18(10-11-19(16)13-15-6-7-15)17(21)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyGUWHHPUOYGRNKZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds4

About 4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one

4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one (PubChem CID 29184258) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one
PubChem CID29184258
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one
SMILESO=C(Cc1ccccc1)N1CCC(=O)N(CC2CC2)CC1
InChIInChI=1S/C17H22N2O2/c20-16-8-9-18(10-11-19(16)13-15-6-7-15)17(21)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyGUWHHPUOYGRNKZ-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylmethyl)-1-[2-(2-methylphenyl)acetyl]-1,4-diazepan-5-one
CID 56853387
4-(cyclopropylmethyl)-1-[2-(2,4,6-trifluorophenyl)acetyl]-1,4-diazepan-5-one
CID 42540206
4-benzyl-1-[2-(3-chlorophenyl)acetyl]-1,4-diazepan-5-one
CID 42366762
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 55955450
2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 62499348
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one
CID 53482806
2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72923432
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 63589421
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one (CID 29184258) is 4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one is O=C(Cc1ccccc1)N1CCC(=O)N(CC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one?
The InChIKey is GUWHHPUOYGRNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-8-9-18(10-11-19(16)13-15-6-7-15)17(21)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2.
What are the key properties of 4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one has a molecular weight of 286.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one is sourced from PubChem (CID 29184258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).