[4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone

C21H30N6O — CID 92639352

IUPAC[4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc([C@@H]2CCCN(Cc3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C21H30N6O/c1-16-19(21(28)27-9-4-3-5-10-27)12-22-20(24-16)18-7-6-8-26(15-18)14-17-11-23-25(2)13-17/h11-13,18H,3-10,14-15H2,1-2H3/t18-/m1/s1
InChIKeyUIHKILQLQVEVHI-GOSISDBHSA-N
MW382.51 g/mol
LogP2.52
Rot. Bonds4

About [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone

[4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 92639352) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID92639352
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name[4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc([C@@H]2CCCN(Cc3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1
InChIInChI=1S/C21H30N6O/c1-16-19(21(28)27-9-4-3-5-10-27)12-22-20(24-16)18-7-6-8-26(15-18)14-17-11-23-25(2)13-17/h11-13,18H,3-10,14-15H2,1-2H3/t18-/m1/s1
InChIKeyUIHKILQLQVEVHI-GOSISDBHSA-N
XLogP2.52
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

2-methoxy-1-[3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110248077
4-[(3S)-3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-4-oxobutanamide
CID 92639381
[2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 110248101
[4-methyl-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636015
cyclobutyl-[(3S)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640304
cyclobutyl-[(3R)-3-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92640303
[2-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92639531
[3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110248102
[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-4-methylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 110248076
(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 100752948
4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110253776
4-(1,3-dihydroisoindol-2-yl)-1-[(3S)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 92637858

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 92639352) is [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone is Cc1nc([C@@H]2CCCN(Cc3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1.
What is the InChIKey of [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is UIHKILQLQVEVHI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N6O/c1-16-19(21(28)27-9-4-3-5-10-27)12-22-20(24-16)18-7-6-8-26(15-18)14-17-11-23-25(2)13-17/h11-13,18H,3-10,14-15H2,1-2H3/t18-/m1/s1.
What are the key properties of [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone?
[4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 382.51 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 92639352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).