(5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione

C25H33N5O3 — CID 42169133

IUPAC(5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(=O)N2CCC([C@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)n(C)n1
InChIInChI=1S/C25H33N5O3/c1-3-8-20-17-21(29(2)28-20)22(31)30-15-12-19(13-16-30)25(23(32)26-24(33)27-25)14-7-11-18-9-5-4-6-10-18/h4-6,9-10,17,19H,3,7-8,11-16H2,1-2H3,(H2,26,27,32,33)/t25-/m0/s1
InChIKeyBWSDYQVOAUILPE-VWLOTQADSA-N
MW451.57 g/mol
LogP2.83
Rot. Bonds8

About (5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione

(5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione (PubChem CID 42169133) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is (5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
PubChem CID42169133
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name(5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(=O)N2CCC([C@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)n(C)n1
InChIInChI=1S/C25H33N5O3/c1-3-8-20-17-21(29(2)28-20)22(31)30-15-12-19(13-16-30)25(23(32)26-24(33)27-25)14-7-11-18-9-5-4-6-10-18/h4-6,9-10,17,19H,3,7-8,11-16H2,1-2H3,(H2,26,27,32,33)/t25-/m0/s1
InChIKeyBWSDYQVOAUILPE-VWLOTQADSA-N
XLogP2.83
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45177078
(5R)-5-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42381080
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45180784
5-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45187933
(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42170913
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
(1-methyl-3-propylpyrazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70706570
(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42274862
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367
(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42246930
5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45190692
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione (CID 42169133) is (5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione is CCCc1cc(C(=O)N2CCC([C@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)n(C)n1.
What is the InChIKey of (5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The InChIKey is BWSDYQVOAUILPE-VWLOTQADSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-3-8-20-17-21(29(2)28-20)22(31)30-15-12-19(13-16-30)25(23(32)26-24(33)27-25)14-7-11-18-9-5-4-6-10-18/h4-6,9-10,17,19H,3,7-8,11-16H2,1-2H3,(H2,26,27,32,33)/t25-/m0/s1.
What are the key properties of (5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
(5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione has a molecular weight of 451.57 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42169133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).