methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate

C22H24N2O3 — CID 67800629

IUPACmethyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ccc(C=Cc3ccncc3)cc2)CC1
InChIInChI=1S/C22H24N2O3/c1-27-21(25)16-19-10-14-24(15-11-19)22(26)20-6-4-17(5-7-20)2-3-18-8-12-23-13-9-18/h2-9,12-13,19H,10-11,14-16H2,1H3
InChIKeyNAPDNJJLVZOLSS-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.67
Rot. Bonds5

About methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate

methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate (PubChem CID 67800629) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate
PubChem CID67800629
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Namemethyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ccc(C=Cc3ccncc3)cc2)CC1
InChIInChI=1S/C22H24N2O3/c1-27-21(25)16-19-10-14-24(15-11-19)22(26)20-6-4-17(5-7-20)2-3-18-8-12-23-13-9-18/h2-9,12-13,19H,10-11,14-16H2,1H3
InChIKeyNAPDNJJLVZOLSS-UHFFFAOYSA-N
XLogP3.67
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700
methyl 2-[1-[4-(2-piperidin-4-ylethyl)benzoyl]piperidin-4-yl]acetate;hydrochloride
CID 22362311
methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate
CID 19419547
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
methyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]piperidin-4-yl]acetate
CID 19419661
methyl 2-[1-[4-[4-(N-prop-2-enoxycarbonylcarbamimidoyl)phenyl]benzoyl]piperidin-4-yl]acetate
CID 139633151
3-[4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]prop-2-enoic acid
CID 77048470
ethyl (E)-3-[4-[[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]amino]phenyl]prop-2-enoate
CID 39692779

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate (CID 67800629) is methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(C(=O)c2ccc(C=Cc3ccncc3)cc2)CC1.
What is the InChIKey of methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate?
The InChIKey is NAPDNJJLVZOLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-21(25)16-19-10-14-24(15-11-19)22(26)20-6-4-17(5-7-20)2-3-18-8-12-23-13-9-18/h2-9,12-13,19H,10-11,14-16H2,1H3.
What are the key properties of methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate?
methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate has a molecular weight of 364.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate is sourced from PubChem (CID 67800629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).