(5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

C26H32N4O4 — CID 26324095

IUPAC(5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
SMILESO=C(c1ccco1)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CCN3CCCC3)C2=O)CC1
InChIInChI=1S/C26H32N4O4/c31-23(22-9-6-18-34-22)29-14-10-21(11-15-29)26(19-20-7-2-1-3-8-20)24(32)30(25(33)27-26)17-16-28-12-4-5-13-28/h1-3,6-9,18,21H,4-5,10-17,19H2,(H,27,33)/t26-/m1/s1
InChIKeyBVUCRMLPQPUGIH-AREMUKBSSA-N
MW464.57 g/mol
LogP2.76
Rot. Bonds7

About (5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

(5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 26324095) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is (5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
PubChem CID26324095
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name(5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
SMILESO=C(c1ccco1)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CCN3CCCC3)C2=O)CC1
InChIInChI=1S/C26H32N4O4/c31-23(22-9-6-18-34-22)29-14-10-21(11-15-29)26(19-20-7-2-1-3-8-20)24(32)30(25(33)27-26)17-16-28-12-4-5-13-28/h1-3,6-9,18,21H,4-5,10-17,19H2,(H,27,33)/t26-/m1/s1
InChIKeyBVUCRMLPQPUGIH-AREMUKBSSA-N
XLogP2.76
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.76
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

(5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42367172
(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
8-(furan-2-carbonyl)-3-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109531
(5S)-5-benzyl-5-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 42398915
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
(5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42440531
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(5R)-3-[2-(dimethylamino)ethyl]-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 26281178
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 136526629
5-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-[2-(dimethylamino)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45216723

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (CID 26324095) is (5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is O=C(c1ccco1)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CCN3CCCC3)C2=O)CC1.
What is the InChIKey of (5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
The InChIKey is BVUCRMLPQPUGIH-AREMUKBSSA-N. The full InChI is InChI=1S/C26H32N4O4/c31-23(22-9-6-18-34-22)29-14-10-21(11-15-29)26(19-20-7-2-1-3-8-20)24(32)30(25(33)27-26)17-16-28-12-4-5-13-28/h1-3,6-9,18,21H,4-5,10-17,19H2,(H,27,33)/t26-/m1/s1.
What are the key properties of (5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?
(5R)-5-benzyl-5-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 464.57 g/mol, XLogP of 2.76, 7 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-(furan-2-carbonyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 26324095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).