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

C24H38N4O — CID 70776604

IUPACazocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCC1
InChIInChI=1S/C24H38N4O/c29-24(27-14-4-2-1-3-5-15-27)22-7-6-16-28(20-22)23-10-17-26(18-11-23)19-21-8-12-25-13-9-21/h8-9,12-13,22-23H,1-7,10-11,14-20H2
InChIKeyFMASRTJJGZVDFW-UHFFFAOYSA-N
MW398.60 g/mol
LogP3.55
Rot. Bonds4

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

azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 70776604) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID70776604
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Nameazocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCC1
InChIInChI=1S/C24H38N4O/c29-24(27-14-4-2-1-3-5-15-27)22-7-6-16-28(20-22)23-10-17-26(18-11-23)19-21-8-12-25-13-9-21/h8-9,12-13,22-23H,1-7,10-11,14-20H2
InChIKeyFMASRTJJGZVDFW-UHFFFAOYSA-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

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Related Compounds

azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 47030918
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
4-[[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95402096
(4-fluoropiperidin-1-yl)-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95563925
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
(3R)-N,N-diethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95539498
(3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25288590

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 70776604) is azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is O=C(C1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is FMASRTJJGZVDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c29-24(27-14-4-2-1-3-5-15-27)22-7-6-16-28(20-22)23-10-17-26(18-11-23)19-21-8-12-25-13-9-21/h8-9,12-13,22-23H,1-7,10-11,14-20H2.
What are the key properties of azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
azocan-1-yl-[1-[1-(pyridin-4-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-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 70776604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).