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

C21H33N5O — CID 56874648

IUPACpiperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCNCC1
InChIInChI=1S/C21H33N5O/c27-21(25-13-8-22-9-14-25)19-4-2-10-26(17-19)20-5-11-24(12-6-20)16-18-3-1-7-23-15-18/h1,3,7,15,19-20,22H,2,4-6,8-14,16-17H2
InChIKeyNHGWSOATVCWLHE-UHFFFAOYSA-N
MW371.53 g/mol
LogP1.19
Rot. Bonds4

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

piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 56874648) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
PubChem CID56874648
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Namepiperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCNCC1
InChIInChI=1S/C21H33N5O/c27-21(25-13-8-22-9-14-25)19-4-2-10-26(17-19)20-5-11-24(12-6-20)16-18-3-1-7-23-15-18/h1,3,7,15,19-20,22H,2,4-6,8-14,16-17H2
InChIKeyNHGWSOATVCWLHE-UHFFFAOYSA-N
XLogP1.19
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze piperazin-1-yl-[1-[1-(pyridin-3-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

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
(4-fluoropiperidin-1-yl)-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95563925
[4-(aminomethyl)piperidin-1-yl]-[(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95455721
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
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
azonan-1-yl-[(3S)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96579465
azocan-1-yl-[1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 70776604
(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573997
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
(3S)-N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95463543

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The IUPAC name of piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone (CID 56874648) is piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The canonical SMILES for piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is O=C(C1CCCN(C2CCN(Cc3cccnc3)CC2)C1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
The InChIKey is NHGWSOATVCWLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c27-21(25-13-8-22-9-14-25)19-4-2-10-26(17-19)20-5-11-24(12-6-20)16-18-3-1-7-23-15-18/h1,3,7,15,19-20,22H,2,4-6,8-14,16-17H2.
What are the key properties of piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone?
piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 371.53 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 56874648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).