4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid

C15H26N2O3 — CID 67493280

IUPAC4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
SMILESO=C(O)N1CCCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(8-7-13-5-2-1-3-6-13)16-9-4-10-17(12-11-16)15(19)20/h13H,1-12H2,(H,19,20)
InChIKeyRJFVTJPQZSKWAP-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.56
Rot. Bonds3

About 4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid

4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid (PubChem CID 67493280) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
PubChem CID67493280
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
SMILESO=C(O)N1CCCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C15H26N2O3/c18-14(8-7-13-5-2-1-3-6-13)16-9-4-10-17(12-11-16)15(19)20/h13H,1-12H2,(H,19,20)
InChIKeyRJFVTJPQZSKWAP-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673013
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
3-cyclohexyl-1-[4-[3-(4-hydroxyphenyl)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 134708657
4-(4,4,4-trifluorobutanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493123
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid?
The IUPAC name of 4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid (CID 67493280) is 4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid.
What is the SMILES notation for 4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid?
The canonical SMILES for 4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid is O=C(O)N1CCCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid?
The InChIKey is RJFVTJPQZSKWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(8-7-13-5-2-1-3-6-13)16-9-4-10-17(12-11-16)15(19)20/h13H,1-12H2,(H,19,20).
What are the key properties of 4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid?
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid is sourced from PubChem (CID 67493280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).