methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate

C15H20N2O4 — CID 61009143

IUPACmethyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cc(C(C)=O)c[nH]1
InChIInChI=1S/C15H20N2O4/c1-10(18)11-7-13(16-9-11)15(20)17-6-4-3-5-12(17)8-14(19)21-2/h7,9,12,16H,3-6,8H2,1-2H3
InChIKeyPNGVJQQCYKIQDO-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.78
Rot. Bonds4

About methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate (PubChem CID 61009143) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate
PubChem CID61009143
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cc(C(C)=O)c[nH]1
InChIInChI=1S/C15H20N2O4/c1-10(18)11-7-13(16-9-11)15(20)17-6-4-3-5-12(17)8-14(19)21-2/h7,9,12,16H,3-6,8H2,1-2H3
InChIKeyPNGVJQQCYKIQDO-UHFFFAOYSA-N
XLogP1.78
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 61010258
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
CID 61009273
methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate
CID 114284658
methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 62682417
2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)pyrrolidin-2-yl]propanoic acid
CID 166270985
methyl 2-[1-(4-amino-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetate
CID 61138762
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
methyl 2-[(2R)-1-[3-hydroxy-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetate
CID 166280266

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate (CID 61009143) is methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1cc(C(C)=O)c[nH]1.
What is the InChIKey of methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate?
The InChIKey is PNGVJQQCYKIQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(18)11-7-13(16-9-11)15(20)17-6-4-3-5-12(17)8-14(19)21-2/h7,9,12,16H,3-6,8H2,1-2H3.
What are the key properties of methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate has a molecular weight of 292.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 61009143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).