N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide

C15H26N2O — CID 18072005

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCNCC1)C1CC2CCC1C2
InChIInChI=1S/C15H26N2O/c1-10(14-9-11-2-3-13(14)8-11)17-15(18)12-4-6-16-7-5-12/h10-14,16H,2-9H2,1H3,(H,17,18)
InChIKeyGNKZNJFQEXDNSE-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.93
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide (PubChem CID 18072005) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
PubChem CID18072005
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCNCC1)C1CC2CCC1C2
InChIInChI=1S/C15H26N2O/c1-10(14-9-11-2-3-13(14)8-11)17-15(18)12-4-6-16-7-5-12/h10-14,16H,2-9H2,1H3,(H,17,18)
InChIKeyGNKZNJFQEXDNSE-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide (CID 18072005) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCNCC1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
The InChIKey is GNKZNJFQEXDNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(14-9-11-2-3-13(14)8-11)17-15(18)12-4-6-16-7-5-12/h10-14,16H,2-9H2,1H3,(H,17,18).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 18072005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).