N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide

C16H26N4O — CID 102736474

IUPACN-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCC[C@H](N)c1ccc(N2CCC(CNC(C)=O)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-3-15(17)16-5-4-14(11-19-16)20-8-6-13(7-9-20)10-18-12(2)21/h4-5,11,13,15H,3,6-10,17H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyLAWJCJBITVJPCX-HNNXBMFYSA-N
MW290.41 g/mol
LogP1.84
Rot. Bonds5

About N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide

N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736474) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736474
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCC[C@H](N)c1ccc(N2CCC(CNC(C)=O)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-3-15(17)16-5-4-14(11-19-16)20-8-6-13(7-9-20)10-18-12(2)21/h4-5,11,13,15H,3,6-10,17H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyLAWJCJBITVJPCX-HNNXBMFYSA-N
XLogP1.84
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736462
1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-4-ol
CID 103936925
1-[1-[6-(1-aminopropyl)-3-pyridinyl]piperidin-4-yl]ethanol
CID 106836278
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-amine
CID 103936871
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-amine
CID 112584254
(1R)-1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937123
1-[6-(1-aminopropyl)-3-pyridinyl]piperidine-3-carboxamide
CID 112584021
[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-3-yl]methanol
CID 103937018
(1S)-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 103937012
1-[5-(1-oxo-1,4-thiazinan-4-yl)-2-pyridinyl]propan-1-amine
CID 112584315
(1R)-1-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-1-amine
CID 113355072

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide (CID 102736474) is N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide is CC[C@H](N)c1ccc(N2CCC(CNC(C)=O)CC2)cn1.
What is the InChIKey of N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is LAWJCJBITVJPCX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-15(17)16-5-4-14(11-19-16)20-8-6-13(7-9-20)10-18-12(2)21/h4-5,11,13,15H,3,6-10,17H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).