2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

C19H25N5O2 — CID 70749178

IUPAC2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCn1ccnc1CCC1CCCCN1C(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C19H25N5O2/c1-23-11-9-20-16(23)8-7-14-4-2-3-10-24(14)19(26)15-12-21-17(13-5-6-13)22-18(15)25/h9,11-14H,2-8,10H2,1H3,(H,21,22,25)
InChIKeyGXNFISAFRVRZBQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.01
Rot. Bonds5

About 2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 70749178) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID70749178
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCn1ccnc1CCC1CCCCN1C(=O)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C19H25N5O2/c1-23-11-9-20-16(23)8-7-14-4-2-3-10-24(14)19(26)15-12-21-17(13-5-6-13)22-18(15)25/h9,11-14H,2-8,10H2,1H3,(H,21,22,25)
InChIKeyGXNFISAFRVRZBQ-UHFFFAOYSA-N
XLogP2.01
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70756795
ethyl 2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 56908194
3-[2-[(2S)-2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 96580259
2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98277148
2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126440228
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 96573836
(5S)-2-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
CID 97142633
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576187
2-methyl-6-[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98268255
3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 77086103
5-[2-[2-(4-hydroxyphenyl)ethyl]piperidine-1-carbonyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70706334
5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 126435275

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 70749178) is 2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is Cn1ccnc1CCC1CCCCN1C(=O)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is GXNFISAFRVRZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23-11-9-20-16(23)8-7-14-4-2-3-10-24(14)19(26)15-12-21-17(13-5-6-13)22-18(15)25/h9,11-14H,2-8,10H2,1H3,(H,21,22,25).
What are the key properties of 2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 355.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[2-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 70749178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).