N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide

C15H24N4O — CID 102736481

IUPACN-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc([C@@H](C)N)cn2)CC1
InChIInChI=1S/C15H24N4O/c1-11(16)14-3-4-15(18-10-14)19-7-5-13(6-8-19)9-17-12(2)20/h3-4,10-11,13H,5-9,16H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyAQSANZPSPRDMDL-LLVKDONJSA-N
MW276.38 g/mol
LogP1.45
Rot. Bonds4

About N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide

N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736481) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736481
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc([C@@H](C)N)cn2)CC1
InChIInChI=1S/C15H24N4O/c1-11(16)14-3-4-15(18-10-14)19-7-5-13(6-8-19)9-17-12(2)20/h3-4,10-11,13H,5-9,16H2,1-2H3,(H,17,20)/t11-/m1/s1
InChIKeyAQSANZPSPRDMDL-LLVKDONJSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide (CID 102736481) is N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccc([C@@H](C)N)cn2)CC1.
What is the InChIKey of N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is AQSANZPSPRDMDL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(16)14-3-4-15(18-10-14)19-7-5-13(6-8-19)9-17-12(2)20/h3-4,10-11,13H,5-9,16H2,1-2H3,(H,17,20)/t11-/m1/s1.
What are the key properties of N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).