N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide

C13H25N3O2 — CID 23503471

IUPACN-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide
SMILESCCCCC(=O)N1CCCCC1C(=O)NCCN
InChIInChI=1S/C13H25N3O2/c1-2-3-7-12(17)16-10-5-4-6-11(16)13(18)15-9-8-14/h11H,2-10,14H2,1H3,(H,15,18)
InChIKeyNHCCOVPLMDLADL-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.63
Rot. Bonds6

About N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide

N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide (PubChem CID 23503471) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide
PubChem CID23503471
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide
SMILESCCCCC(=O)N1CCCCC1C(=O)NCCN
InChIInChI=1S/C13H25N3O2/c1-2-3-7-12(17)16-10-5-4-6-11(16)13(18)15-9-8-14/h11H,2-10,14H2,1H3,(H,15,18)
InChIKeyNHCCOVPLMDLADL-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide (CID 23503471) is N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide is CCCCC(=O)N1CCCCC1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide?
The InChIKey is NHCCOVPLMDLADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-3-7-12(17)16-10-5-4-6-11(16)13(18)15-9-8-14/h11H,2-10,14H2,1H3,(H,15,18).
What are the key properties of N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide?
N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-pentanoylpiperidine-2-carboxamide is sourced from PubChem (CID 23503471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).