2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C23H28N4O2 — CID 155498502

IUPAC2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCC21CCN(C(=O)[C@H]2CC[C@H](c3ccccc3)N2)CC1
InChIInChI=1S/C23H28N4O2/c1-15-24-20-17(21(28)25-15)9-10-23(20)11-13-27(14-12-23)22(29)19-8-7-18(26-19)16-5-3-2-4-6-16/h2-6,18-19,26H,7-14H2,1H3,(H,24,25,28)/t18-,19-/m1/s1
InChIKeyXREZHMNULVOVPM-RTBURBONSA-N
MW392.50 g/mol
LogP2.38
Rot. Bonds2

About 2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155498502) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155498502
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCC21CCN(C(=O)[C@H]2CC[C@H](c3ccccc3)N2)CC1
InChIInChI=1S/C23H28N4O2/c1-15-24-20-17(21(28)25-15)9-10-23(20)11-13-27(14-12-23)22(29)19-8-7-18(26-19)16-5-3-2-4-6-16/h2-6,18-19,26H,7-14H2,1H3,(H,24,25,28)/t18-,19-/m1/s1
InChIKeyXREZHMNULVOVPM-RTBURBONSA-N
XLogP2.38
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155498502) is 2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is Cc1nc2c(c(=O)[nH]1)CCC21CCN(C(=O)[C@H]2CC[C@H](c3ccccc3)N2)CC1.
What is the InChIKey of 2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is XREZHMNULVOVPM-RTBURBONSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-24-20-17(21(28)25-15)9-10-23(20)11-13-27(14-12-23)22(29)19-8-7-18(26-19)16-5-3-2-4-6-16/h2-6,18-19,26H,7-14H2,1H3,(H,24,25,28)/t18-,19-/m1/s1.
What are the key properties of 2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 392.50 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1'-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155498502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).