4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one

C23H33N5O3 — CID 126890430

IUPAC4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(C(=O)C3CC(=O)N(C4CCOCC4)C3)CC2)ncn1
InChIInChI=1S/C23H33N5O3/c1-16-12-21(25-15-24-16)28(19-2-3-19)20-4-8-26(9-5-20)23(30)17-13-22(29)27(14-17)18-6-10-31-11-7-18/h12,15,17-20H,2-11,13-14H2,1H3
InChIKeyHOTOSEGMFSAUKN-UHFFFAOYSA-N
MW427.55 g/mol
LogP1.77
Rot. Bonds5

About 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one

4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 126890430) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID126890430
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(C(=O)C3CC(=O)N(C4CCOCC4)C3)CC2)ncn1
InChIInChI=1S/C23H33N5O3/c1-16-12-21(25-15-24-16)28(19-2-3-19)20-4-8-26(9-5-20)23(30)17-13-22(29)27(14-17)18-6-10-31-11-7-18/h12,15,17-20H,2-11,13-14H2,1H3
InChIKeyHOTOSEGMFSAUKN-UHFFFAOYSA-N
XLogP1.77
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one with MolForge

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Related Compounds

1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
ethyl 4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 90567791
(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 100612118
4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 90567956
[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126890461
(4R)-1-cyclopropyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 94017125
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxyazepan-1-yl]ethanone
CID 126890732
2-[[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862738
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126890734
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(oxan-4-yl)methanone
CID 126887514
5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126890686

Frequently Asked Questions

What is the IUPAC name of 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one (CID 126890430) is 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one is Cc1cc(N(C2CC2)C2CCN(C(=O)C3CC(=O)N(C4CCOCC4)C3)CC2)ncn1.
What is the InChIKey of 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is HOTOSEGMFSAUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-16-12-21(25-15-24-16)28(19-2-3-19)20-4-8-26(9-5-20)23(30)17-13-22(29)27(14-17)18-6-10-31-11-7-18/h12,15,17-20H,2-11,13-14H2,1H3.
What are the key properties of 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 427.55 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 126890430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).