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

C25H40N4O — CID 96579465

IUPACazonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCCC1
InChIInChI=1S/C25H40N4O/c30-25(28-15-5-3-1-2-4-6-16-28)23-8-7-17-29(21-23)24-11-18-27(19-12-24)20-22-9-13-26-14-10-22/h9-10,13-14,23-24H,1-8,11-12,15-21H2/t23-/m0/s1
InChIKeyKZRXBMFCSZOXLL-QHCPKHFHSA-N
MW412.62 g/mol
LogP3.94
Rot. Bonds4

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

azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 96579465) has the molecular formula C25H40N4O and a molecular weight of 412.62 g/mol. Its IUPAC name is azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID96579465
Molecular FormulaC25H40N4O
Molecular Weight412.62 g/mol
Exact Mass412.32
IUPAC Nameazonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCCC1
InChIInChI=1S/C25H40N4O/c30-25(28-15-5-3-1-2-4-6-16-28)23-8-7-17-29(21-23)24-11-18-27(19-12-24)20-22-9-13-26-14-10-22/h9-10,13-14,23-24H,1-8,11-12,15-21H2/t23-/m0/s1
InChIKeyKZRXBMFCSZOXLL-QHCPKHFHSA-N
XLogP3.94
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
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 azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 96579465) is azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is O=C([C@H]1CCCN(C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCCC1.
What is the InChIKey of azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is KZRXBMFCSZOXLL-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H40N4O/c30-25(28-15-5-3-1-2-4-6-16-28)23-8-7-17-29(21-23)24-11-18-27(19-12-24)20-22-9-13-26-14-10-22/h9-10,13-14,23-24H,1-8,11-12,15-21H2/t23-/m0/s1.
What are the key properties of azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 412.62 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 96579465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).