4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide

C14H27N5O — CID 153377361

IUPAC4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide
SMILES[H]/N=C(\C)NC(=O)N1CCCC(N2CCC(N)CC2)CC1
InChIInChI=1S/C14H27N5O/c1-11(15)17-14(20)19-7-2-3-13(6-10-19)18-8-4-12(16)5-9-18/h12-13H,2-10,16H2,1H3,(H2,15,17,20)
InChIKeyQAUGWLSSWWJDAN-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.97
Rot. Bonds1

About 4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide

4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide (PubChem CID 153377361) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide
PubChem CID153377361
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide
SMILES[H]/N=C(\C)NC(=O)N1CCCC(N2CCC(N)CC2)CC1
InChIInChI=1S/C14H27N5O/c1-11(15)17-14(20)19-7-2-3-13(6-10-19)18-8-4-12(16)5-9-18/h12-13H,2-10,16H2,1H3,(H2,15,17,20)
InChIKeyQAUGWLSSWWJDAN-UHFFFAOYSA-N
XLogP0.97
TPSA85.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide (CID 153377361) is 4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide is [H]/N=C(\C)NC(=O)N1CCCC(N2CCC(N)CC2)CC1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide?
The InChIKey is QAUGWLSSWWJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-11(15)17-14(20)19-7-2-3-13(6-10-19)18-8-4-12(16)5-9-18/h12-13H,2-10,16H2,1H3,(H2,15,17,20).
What are the key properties of 4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide?
4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-N-ethanimidoylazepane-1-carboxamide is sourced from PubChem (CID 153377361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).