(5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione

C27H28N4O4 — CID 42398914

IUPAC(5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
SMILESCc1ccoc1C(=O)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(Cc3cccnc3)C2=O)CC1
InChIInChI=1S/C27H28N4O4/c1-19-11-15-35-23(19)24(32)30-13-9-22(10-14-30)27(16-20-6-3-2-4-7-20)25(33)31(26(34)29-27)18-21-8-5-12-28-17-21/h2-8,11-12,15,17,22H,9-10,13-14,16,18H2,1H3,(H,29,34)/t27-/m1/s1
InChIKeyKFWZRIXSHAUTGN-HHHXNRCGSA-N
MW472.55 g/mol
LogP3.57
Rot. Bonds6

About (5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione

(5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 42398914) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is (5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID42398914
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name(5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
SMILESCc1ccoc1C(=O)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(Cc3cccnc3)C2=O)CC1
InChIInChI=1S/C27H28N4O4/c1-19-11-15-35-23(19)24(32)30-13-9-22(10-14-30)27(16-20-6-3-2-4-7-20)25(33)31(26(34)29-27)18-21-8-5-12-28-17-21/h2-8,11-12,15,17,22H,9-10,13-14,16,18H2,1H3,(H,29,34)/t27-/m1/s1
InChIKeyKFWZRIXSHAUTGN-HHHXNRCGSA-N
XLogP3.57
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 42398915
(5S)-5-benzyl-3-(pyridin-3-ylmethyl)-5-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26338678
(5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 26324095
(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 95221358
(5S)-5-(3-methylbutyl)-5-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 42472635
(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 110695645
(5R)-5-benzyl-5-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 42212185
5-benzyl-5-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 45168143
(3aR,6aS)-1-(3-methylfuran-2-carbonyl)-4-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;2,2,2-trifluoroacetic acid
CID 155856201
4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one
CID 56880035
(5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42367172
(5R)-3-[2-(dimethylamino)ethyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 26281178

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione (CID 42398914) is (5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione is Cc1ccoc1C(=O)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(Cc3cccnc3)C2=O)CC1.
What is the InChIKey of (5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is KFWZRIXSHAUTGN-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-19-11-15-35-23(19)24(32)30-13-9-22(10-14-30)27(16-20-6-3-2-4-7-20)25(33)31(26(34)29-27)18-21-8-5-12-28-17-21/h2-8,11-12,15,17,22H,9-10,13-14,16,18H2,1H3,(H,29,34)/t27-/m1/s1.
What are the key properties of (5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione?
(5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 472.55 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42398914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).