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

C26H32N4O3S — CID 42367172

IUPAC(5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(c1cccs1)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CCN3CCCC3)C2=O)CC1
InChIInChI=1S/C26H32N4O3S/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
InChIKeyHZNSLJDEUINZNN-AREMUKBSSA-N
MW480.63 g/mol
LogP3.23
Rot. Bonds7

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

(5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42367172) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is (5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42367172
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name(5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(c1cccs1)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CCN3CCCC3)C2=O)CC1
InChIInChI=1S/C26H32N4O3S/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
InChIKeyHZNSLJDEUINZNN-AREMUKBSSA-N
XLogP3.23
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.23
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-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
(5S)-5-benzyl-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 41215552
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9069109
(5S,6R)-6-methyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9330991
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
(6S)-6-benzyl-4-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperazin-2-one
CID 137337165
N-(1-benzyl-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55857162
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 42367172) is (5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C(c1cccs1)N1CCC([C@@]2(Cc3ccccc3)NC(=O)N(CCN3CCCC3)C2=O)CC1.
What is the InChIKey of (5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is HZNSLJDEUINZNN-AREMUKBSSA-N. The full InChI is InChI=1S/C26H32N4O3S/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-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 480.63 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-(2-pyrrolidin-1-ylethyl)-5-[1-(thiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42367172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).