(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone

C21H26N4O2 — CID 126446397

IUPAC(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
SMILESCc1nc(N2CCCCC2)ncc1C(=O)N1CC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C21H26N4O2/c1-16-19(14-22-21(23-16)24-11-6-3-7-12-24)20(26)25-13-10-18(15-25)27-17-8-4-2-5-9-17/h2,4-5,8-9,14,18H,3,6-7,10-13,15H2,1H3/t18-/m1/s1
InChIKeyWEKFAHGGABDQQZ-GOSISDBHSA-N
MW366.46 g/mol
LogP3.07
Rot. Bonds4

About (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone

(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone (PubChem CID 126446397) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
PubChem CID126446397
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
SMILESCc1nc(N2CCCCC2)ncc1C(=O)N1CC[C@@H](Oc2ccccc2)C1
InChIInChI=1S/C21H26N4O2/c1-16-19(14-22-21(23-16)24-11-6-3-7-12-24)20(26)25-13-10-18(15-25)27-17-8-4-2-5-9-17/h2,4-5,8-9,14,18H,3,6-7,10-13,15H2,1H3/t18-/m1/s1
InChIKeyWEKFAHGGABDQQZ-GOSISDBHSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3S,4S)-4-cyclopropyl-1-(4-methyl-2-piperidin-1-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 72869164
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 97152529
1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone
CID 137337439
[(3S,4S)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)methanone
CID 133132123
azepan-1-yl-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 20959621
(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-[4-methyl-2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 135144580
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129473052
(3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129476479
4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine
CID 163306506
[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 56901001
methyl 3-phenoxypyrrolidine-1-carboxylate
CID 58171478

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone (CID 126446397) is (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone is Cc1nc(N2CCCCC2)ncc1C(=O)N1CC[C@@H](Oc2ccccc2)C1.
What is the InChIKey of (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone?
The InChIKey is WEKFAHGGABDQQZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-19(14-22-21(23-16)24-11-6-3-7-12-24)20(26)25-13-10-18(15-25)27-17-8-4-2-5-9-17/h2,4-5,8-9,14,18H,3,6-7,10-13,15H2,1H3/t18-/m1/s1.
What are the key properties of (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone?
(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone has a molecular weight of 366.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 126446397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).