2-piperidin-4-ylazepane-1-carboxamide

C12H23N3O — CID 54592718

IUPAC2-piperidin-4-ylazepane-1-carboxamide
SMILESNC(=O)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C12H23N3O/c13-12(16)15-9-3-1-2-4-11(15)10-5-7-14-8-6-10/h10-11,14H,1-9H2,(H2,13,16)
InChIKeyRAGFXEIFAQWQTI-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.31
Rot. Bonds1

About 2-piperidin-4-ylazepane-1-carboxamide

2-piperidin-4-ylazepane-1-carboxamide (PubChem CID 54592718) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-piperidin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound Name2-piperidin-4-ylazepane-1-carboxamide
PubChem CID54592718
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-piperidin-4-ylazepane-1-carboxamide
SMILESNC(=O)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C12H23N3O/c13-12(16)15-9-3-1-2-4-11(15)10-5-7-14-8-6-10/h10-11,14H,1-9H2,(H2,13,16)
InChIKeyRAGFXEIFAQWQTI-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylazepane-1-carboxamide?
The IUPAC name of 2-piperidin-4-ylazepane-1-carboxamide (CID 54592718) is 2-piperidin-4-ylazepane-1-carboxamide.
What is the SMILES notation for 2-piperidin-4-ylazepane-1-carboxamide?
The canonical SMILES for 2-piperidin-4-ylazepane-1-carboxamide is NC(=O)N1CCCCCC1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylazepane-1-carboxamide?
The InChIKey is RAGFXEIFAQWQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-12(16)15-9-3-1-2-4-11(15)10-5-7-14-8-6-10/h10-11,14H,1-9H2,(H2,13,16).
What are the key properties of 2-piperidin-4-ylazepane-1-carboxamide?
2-piperidin-4-ylazepane-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 54592718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).