4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide

C14H25N3O2 — CID 143680696

IUPAC4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
SMILESNC(=O)N1CCCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C14H25N3O2/c15-14(19)17-9-3-8-16(10-11-17)13(18)7-6-12-4-1-2-5-12/h12H,1-11H2,(H2,15,19)
InChIKeyFWHHGNRULQUJKC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.57
Rot. Bonds3

About 4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide

4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide (PubChem CID 143680696) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
PubChem CID143680696
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
SMILESNC(=O)N1CCCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C14H25N3O2/c15-14(19)17-9-3-8-16(10-11-17)13(18)7-6-12-4-1-2-5-12/h12H,1-11H2,(H2,15,19)
InChIKeyFWHHGNRULQUJKC-UHFFFAOYSA-N
XLogP1.57
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.57
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-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280
1-(3-cyclohexylpropanoyl)piperidine-4-carboxamide
CID 17312024
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119743478
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119715775
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 80677357
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide (CID 143680696) is 4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide is NC(=O)N1CCCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide?
The InChIKey is FWHHGNRULQUJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c15-14(19)17-9-3-8-16(10-11-17)13(18)7-6-12-4-1-2-5-12/h12H,1-11H2,(H2,15,19).
What are the key properties of 4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide?
4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 143680696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).