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

C22H34N4O — CID 56870645

IUPACpiperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCCCC1
InChIInChI=1S/C22H34N4O/c27-22(25-11-2-1-3-12-25)20-7-5-13-26(18-20)21-8-14-24(15-9-21)17-19-6-4-10-23-16-19/h4,6,10,16,20-21H,1-3,5,7-9,11-15,17-18H2
InChIKeyWUVURMBNYSZFIA-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.77
Rot. Bonds4

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

piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 56870645) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID56870645
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Namepiperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCCCC1
InChIInChI=1S/C22H34N4O/c27-22(25-11-2-1-3-12-25)20-7-5-13-26(18-20)21-8-14-24(15-9-21)17-19-6-4-10-23-16-19/h4,6,10,16,20-21H,1-3,5,7-9,11-15,17-18H2
InChIKeyWUVURMBNYSZFIA-UHFFFAOYSA-N
XLogP2.77
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
(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 piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 56870645) is piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is O=C(C1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is WUVURMBNYSZFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c27-22(25-11-2-1-3-12-25)20-7-5-13-26(18-20)21-8-14-24(15-9-21)17-19-6-4-10-23-16-19/h4,6,10,16,20-21H,1-3,5,7-9,11-15,17-18H2.
What are the key properties of piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 370.54 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 56870645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).