N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide

C24H49N3O — CID 44592952

IUPACN-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide
SMILESCCCCCCCCCCCCCCCNCC1CCN(CCNC=O)CC1
InChIInChI=1S/C24H49N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-22-24-15-19-27(20-16-24)21-18-26-23-28/h23-25H,2-22H2,1H3,(H,26,28)
InChIKeyYSAOCUUFWVJZIM-UHFFFAOYSA-N
MW395.68 g/mol
LogP5.13
Rot. Bonds20

About N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide

N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide (PubChem CID 44592952) has the molecular formula C24H49N3O and a molecular weight of 395.68 g/mol. Its IUPAC name is N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide
PubChem CID44592952
Molecular FormulaC24H49N3O
Molecular Weight395.68 g/mol
Exact Mass395.39
IUPAC NameN-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide
SMILESCCCCCCCCCCCCCCCNCC1CCN(CCNC=O)CC1
InChIInChI=1S/C24H49N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-22-24-15-19-27(20-16-24)21-18-26-23-28/h23-25H,2-22H2,1H3,(H,26,28)
InChIKeyYSAOCUUFWVJZIM-UHFFFAOYSA-N
XLogP5.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.68
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide?
The IUPAC name of N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide (CID 44592952) is N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide?
The canonical SMILES for N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide is CCCCCCCCCCCCCCCNCC1CCN(CCNC=O)CC1.
What is the InChIKey of N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide?
The InChIKey is YSAOCUUFWVJZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-22-24-15-19-27(20-16-24)21-18-26-23-28/h23-25H,2-22H2,1H3,(H,26,28).
What are the key properties of N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide?
N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide has a molecular weight of 395.68 g/mol, XLogP of 5.13, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide is sourced from PubChem (CID 44592952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).