methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate

C18H28N4O2 — CID 124721465

IUPACmethyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C18H28N4O2/c1-24-18(23)15-21-8-4-5-16(14-21)13-20-9-11-22(12-10-20)17-6-2-3-7-19-17/h2-3,6-7,16H,4-5,8-15H2,1H3/t16-/m0/s1
InChIKeyADIMISWXGDECMM-INIZCTEOSA-N
MW332.45 g/mol
LogP1.09
Rot. Bonds5

About methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate

methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate (PubChem CID 124721465) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
PubChem CID124721465
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Namemethyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C18H28N4O2/c1-24-18(23)15-21-8-4-5-16(14-21)13-20-9-11-22(12-10-20)17-6-2-3-7-19-17/h2-3,6-7,16H,4-5,8-15H2,1H3/t16-/m0/s1
InChIKeyADIMISWXGDECMM-INIZCTEOSA-N
XLogP1.09
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614
5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
CID 110923901
methyl 4-chloro-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 133279621
3-methyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]but-2-en-1-one
CID 95299376
3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
(2-phenoxyphenyl)-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52808285
(3S)-3-cyclopropyl-1-[(3R)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 52533815
oxetan-3-yl 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 167859480

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate (CID 124721465) is methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate is COC(=O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate?
The InChIKey is ADIMISWXGDECMM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-24-18(23)15-21-8-4-5-16(14-21)13-20-9-11-22(12-10-20)17-6-2-3-7-19-17/h2-3,6-7,16H,4-5,8-15H2,1H3/t16-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate?
methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate has a molecular weight of 332.45 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate is sourced from PubChem (CID 124721465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).