azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

C24H38N4O — CID 96573815

IUPACazocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCC1
InChIInChI=1S/C24H38N4O/c29-24(27-13-4-2-1-3-5-14-27)22-9-7-15-28(20-22)23-10-16-26(17-11-23)19-21-8-6-12-25-18-21/h6,8,12,18,22-23H,1-5,7,9-11,13-17,19-20H2/t22-/m1/s1
InChIKeyNNARMSWJVHMLGQ-JOCHJYFZSA-N
MW398.60 g/mol
LogP3.55
Rot. Bonds4

About azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone

azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 96573815) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID96573815
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Nameazocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCC1
InChIInChI=1S/C24H38N4O/c29-24(27-13-4-2-1-3-5-14-27)22-9-7-15-28(20-22)23-10-16-26(17-11-23)19-21-8-6-12-25-18-21/h6,8,12,18,22-23H,1-5,7,9-11,13-17,19-20H2/t22-/m1/s1
InChIKeyNNARMSWJVHMLGQ-JOCHJYFZSA-N
XLogP3.55
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone with MolForge

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Related Compounds

piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
(4-fluoropiperidin-1-yl)-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95563925
piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56874648
[4-(aminomethyl)piperidin-1-yl]-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95455721
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
2-azaspiro[4.4]nonan-2-yl-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96572910
[4-(2-methoxyethyl)piperidin-1-yl]-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96577997
(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96572438

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 96573815) is azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is O=C([C@@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is NNARMSWJVHMLGQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H38N4O/c29-24(27-13-4-2-1-3-5-14-27)22-9-7-15-28(20-22)23-10-16-26(17-11-23)19-21-8-6-12-25-18-21/h6,8,12,18,22-23H,1-5,7,9-11,13-17,19-20H2/t22-/m1/s1.
What are the key properties of azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 398.60 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 96573815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).