N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide

C16H26N4O — CID 102736462

IUPACN-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCNC(C)c1ccc(N2CCC(CNC(C)=O)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-12(17-3)16-5-4-15(11-19-16)20-8-6-14(7-9-20)10-18-13(2)21/h4-5,11-12,14,17H,6-10H2,1-3H3,(H,18,21)
InChIKeyOTHCSSDLTQKKAR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.71
Rot. Bonds5

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

N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736462) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736462
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
SMILESCNC(C)c1ccc(N2CCC(CNC(C)=O)CC2)cn1
InChIInChI=1S/C16H26N4O/c1-12(17-3)16-5-4-15(11-19-16)20-8-6-14(7-9-20)10-18-13(2)21/h4-5,11-12,14,17H,6-10H2,1-3H3,(H,18,21)
InChIKeyOTHCSSDLTQKKAR-UHFFFAOYSA-N
XLogP1.71
TPSA57.26 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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[6-[(1S)-1-aminopropyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736474
1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122210
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
2-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227793
1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122376
N-methyl-1-[5-(3-phenylpyrrolidin-1-yl)-2-pyridinyl]ethanamine
CID 83109568
N-[[1-[5-(1-aminoethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736472
N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736481
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83122477
(1S)-1-[5-(4-propylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132070
1-[5-(4-propylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132157

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide (CID 102736462) is N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide is CNC(C)c1ccc(N2CCC(CNC(C)=O)CC2)cn1.
What is the InChIKey of N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is OTHCSSDLTQKKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(17-3)16-5-4-15(11-19-16)20-8-6-14(7-9-20)10-18-13(2)21/h4-5,11-12,14,17H,6-10H2,1-3H3,(H,18,21).
What are the key properties of N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).