2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide

C18H28N4O — CID 95828021

IUPAC2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC([C@@H]2CCCCN2Cc2ccccn2)CC1
InChIInChI=1S/C18H28N4O/c19-18(23)14-21-11-7-15(8-12-21)17-6-2-4-10-22(17)13-16-5-1-3-9-20-16/h1,3,5,9,15,17H,2,4,6-8,10-14H2,(H2,19,23)/t17-/m0/s1
InChIKeyMQKPZEJESRFKKZ-KRWDZBQOSA-N
MW316.45 g/mol
LogP1.63
Rot. Bonds5

About 2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide

2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide (PubChem CID 95828021) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide
PubChem CID95828021
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC([C@@H]2CCCCN2Cc2ccccn2)CC1
InChIInChI=1S/C18H28N4O/c19-18(23)14-21-11-7-15(8-12-21)17-6-2-4-10-22(17)13-16-5-1-3-9-20-16/h1,3,5,9,15,17H,2,4,6-8,10-14H2,(H2,19,23)/t17-/m0/s1
InChIKeyMQKPZEJESRFKKZ-KRWDZBQOSA-N
XLogP1.63
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339030
2-(2-cyclohexylpiperidin-1-yl)acetamide
CID 67699476
methyl (2R)-2-phenyl-2-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]acetate
CID 52943483
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
4-phenyl-1-(pyridin-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 57445849
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
CID 132534708
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide (CID 95828021) is 2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCC([C@@H]2CCCCN2Cc2ccccn2)CC1.
What is the InChIKey of 2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide?
The InChIKey is MQKPZEJESRFKKZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N4O/c19-18(23)14-21-11-7-15(8-12-21)17-6-2-4-10-22(17)13-16-5-1-3-9-20-16/h1,3,5,9,15,17H,2,4,6-8,10-14H2,(H2,19,23)/t17-/m0/s1.
What are the key properties of 2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide?
2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95828021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).