(4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one

C33H46N6O2 — CID 25024699

IUPAC(4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one
SMILESCc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1
InChIInChI=1S/C33H46N6O2/c1-24-30(25(2)35-23-34-24)31(40)36-20-16-33(3,17-21-36)37-18-14-28(15-19-37)39-29(26-10-6-4-7-11-26)22-38(32(39)41)27-12-8-5-9-13-27/h4,6-7,10-11,23,27-29H,5,8-9,12-22H2,1-3H3/t29-/m0/s1
InChIKeyBYSYEMPZKZYBNW-LJAQVGFWSA-N
MW558.77 g/mol
LogP5.36
Rot. Bonds5

About (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one

(4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one (PubChem CID 25024699) has the molecular formula C33H46N6O2 and a molecular weight of 558.77 g/mol. Its IUPAC name is (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one
PubChem CID25024699
Molecular FormulaC33H46N6O2
Molecular Weight558.77 g/mol
Exact Mass558.37
IUPAC Name(4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one
SMILESCc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1
InChIInChI=1S/C33H46N6O2/c1-24-30(25(2)35-23-34-24)31(40)36-20-16-33(3,17-21-36)37-18-14-28(15-19-37)39-29(26-10-6-4-7-11-26)22-38(32(39)41)27-12-8-5-9-13-27/h4,6-7,10-11,23,27-29H,5,8-9,12-22H2,1-3H3/t29-/m0/s1
InChIKeyBYSYEMPZKZYBNW-LJAQVGFWSA-N
XLogP5.36
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.77
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one (CID 25024699) is (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one is Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C4CCCCC4)C[C@H]3c3ccccc3)CC2)CC1.
What is the InChIKey of (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
The InChIKey is BYSYEMPZKZYBNW-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H46N6O2/c1-24-30(25(2)35-23-34-24)31(40)36-20-16-33(3,17-21-36)37-18-14-28(15-19-37)39-29(26-10-6-4-7-11-26)22-38(32(39)41)27-12-8-5-9-13-27/h4,6-7,10-11,23,27-29H,5,8-9,12-22H2,1-3H3/t29-/m0/s1.
What are the key properties of (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
(4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one has a molecular weight of 558.77 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclohexyl-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 25024699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).