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

C33H46N6O3 — CID 25205766

IUPAC(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one
SMILESCc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1
InChIInChI=1S/C33H46N6O3/c1-24-30(25(2)35-23-34-24)31(40)36-17-13-33(3,14-18-36)38-15-9-28(10-16-38)39-29(27-7-5-4-6-8-27)22-37(32(39)41)21-26-11-19-42-20-12-26/h4-8,23,26,28-29H,9-22H2,1-3H3/t29-/m0/s1
InChIKeyLEIJVPCQIOHXMZ-LJAQVGFWSA-N
MW574.77 g/mol
LogP4.46
Rot. Bonds6

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

(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one (PubChem CID 25205766) has the molecular formula C33H46N6O3 and a molecular weight of 574.77 g/mol. Its IUPAC name is (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one
PubChem CID25205766
Molecular FormulaC33H46N6O3
Molecular Weight574.77 g/mol
Exact Mass574.36
IUPAC Name(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one
SMILESCc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1
InChIInChI=1S/C33H46N6O3/c1-24-30(25(2)35-23-34-24)31(40)36-17-13-33(3,14-18-36)38-15-9-28(10-16-38)39-29(27-7-5-4-6-8-27)22-37(32(39)41)21-26-11-19-42-20-12-26/h4-8,23,26,28-29H,9-22H2,1-3H3/t29-/m0/s1
InChIKeyLEIJVPCQIOHXMZ-LJAQVGFWSA-N
XLogP4.46
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.77
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one?
The IUPAC name of (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one (CID 25205766) is (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one is Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCOCC4)C[C@H]3c3ccccc3)CC2)CC1.
What is the InChIKey of (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one?
The InChIKey is LEIJVPCQIOHXMZ-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H46N6O3/c1-24-30(25(2)35-23-34-24)31(40)36-17-13-33(3,14-18-36)38-15-9-28(10-16-38)39-29(27-7-5-4-6-8-27)22-37(32(39)41)21-26-11-19-42-20-12-26/h4-8,23,26,28-29H,9-22H2,1-3H3/t29-/m0/s1.
What are the key properties of (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one?
(4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one has a molecular weight of 574.77 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-1-(oxan-4-ylmethyl)-4-phenylimidazolidin-2-one is sourced from PubChem (CID 25205766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).