methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate

C19H28N4O3 — CID 45209479

IUPACmethyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H28N4O3/c1-26-18(25)5-2-4-17(24)23-13-8-16(14-23)15-6-11-22(12-7-15)19-20-9-3-10-21-19/h3,9-10,15-16H,2,4-8,11-14H2,1H3
InChIKeyUZGPEHZSXGPBSN-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.88
Rot. Bonds6

About methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate

methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate (PubChem CID 45209479) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate
PubChem CID45209479
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Namemethyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1CCC(C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H28N4O3/c1-26-18(25)5-2-4-17(24)23-13-8-16(14-23)15-6-11-22(12-7-15)19-20-9-3-10-21-19/h3,9-10,15-16H,2,4-8,11-14H2,1H3
InChIKeyUZGPEHZSXGPBSN-UHFFFAOYSA-N
XLogP1.88
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate with MolForge

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Related Compounds

delta-Oxo-4-(2-pyrimidinyl)-1-piperazinepentanoic acid
CID 2815238
methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233892
3,3-Dimethyl-5-oxo-5-(4-(pyrimidin-2-yl)piperazin-1-yl)pentanoic acid
CID 2815557
2-[(3aR,7S,7aS)-2-pyrimidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97387663
1-[(3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 97402597
3-Propan-2-yl-1-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
CID 137661792
N-butyl-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-N-methylacetamide
CID 53189240
2-[1-(2-Methoxy-4-pyrimidinyl)-4-piperidyl]-1-(1-pyrrolidinyl)-1-ethanone
CID 53189264
N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189265
1-(Azepan-1-yl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanone
CID 53189279
1-Methyl-2-oxo-8-(2-pyrimidinylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72926052
2-(Oxan-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110855038

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate?
The IUPAC name of methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate (CID 45209479) is methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate.
What is the SMILES notation for methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate?
The canonical SMILES for methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate is COC(=O)CCCC(=O)N1CCC(C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate?
The InChIKey is UZGPEHZSXGPBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-26-18(25)5-2-4-17(24)23-13-8-16(14-23)15-6-11-22(12-7-15)19-20-9-3-10-21-19/h3,9-10,15-16H,2,4-8,11-14H2,1H3.
What are the key properties of methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate?
methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate has a molecular weight of 360.46 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pentanoate is sourced from PubChem (CID 45209479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).