N-ethyl-2-piperidin-4-ylazepane-1-carboxamide

C14H27N3O — CID 63904195

IUPACN-ethyl-2-piperidin-4-ylazepane-1-carboxamide
SMILESCCNC(=O)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C14H27N3O/c1-2-16-14(18)17-11-5-3-4-6-13(17)12-7-9-15-10-8-12/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyMNTUFYBUEUWAGW-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.96
Rot. Bonds2

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

N-ethyl-2-piperidin-4-ylazepane-1-carboxamide (PubChem CID 63904195) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-2-piperidin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-piperidin-4-ylazepane-1-carboxamide
PubChem CID63904195
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-2-piperidin-4-ylazepane-1-carboxamide
SMILESCCNC(=O)N1CCCCCC1C1CCNCC1
InChIInChI=1S/C14H27N3O/c1-2-16-14(18)17-11-5-3-4-6-13(17)12-7-9-15-10-8-12/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyMNTUFYBUEUWAGW-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-piperidin-4-ylazepane-1-carboxamide?
The IUPAC name of N-ethyl-2-piperidin-4-ylazepane-1-carboxamide (CID 63904195) is N-ethyl-2-piperidin-4-ylazepane-1-carboxamide.
What is the SMILES notation for N-ethyl-2-piperidin-4-ylazepane-1-carboxamide?
The canonical SMILES for N-ethyl-2-piperidin-4-ylazepane-1-carboxamide is CCNC(=O)N1CCCCCC1C1CCNCC1.
What is the InChIKey of N-ethyl-2-piperidin-4-ylazepane-1-carboxamide?
The InChIKey is MNTUFYBUEUWAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-16-14(18)17-11-5-3-4-6-13(17)12-7-9-15-10-8-12/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-ethyl-2-piperidin-4-ylazepane-1-carboxamide?
N-ethyl-2-piperidin-4-ylazepane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-piperidin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 63904195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).