5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

C23H32N4O3 — CID 45183104

IUPAC5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CCC1(C2CCN(C(=O)C3CC3)CC2)NC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C23H32N4O3/c1-16(2)8-11-23(18-9-13-26(14-10-18)20(28)17-6-7-17)21(29)27(22(30)25-23)15-19-5-3-4-12-24-19/h3-5,12,16-18H,6-11,13-15H2,1-2H3,(H,25,30)
InChIKeyRKHSRTTYQTXXEO-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.96
Rot. Bonds7

About 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 45183104) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID45183104
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CCC1(C2CCN(C(=O)C3CC3)CC2)NC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C23H32N4O3/c1-16(2)8-11-23(18-9-13-26(14-10-18)20(28)17-6-7-17)21(29)27(22(30)25-23)15-19-5-3-4-12-24-19/h3-5,12,16-18H,6-11,13-15H2,1-2H3,(H,25,30)
InChIKeyRKHSRTTYQTXXEO-UHFFFAOYSA-N
XLogP2.96
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 42163475
(5R)-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)-5-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42167678
(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
5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 45189875
(5R)-5-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 42321719
(5R)-3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42247873
5-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45247625
(5R)-3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-[(1R)-3-oxo-1,2-dihydroindene-1-carbonyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26283088
5-[1-(2-oxo-2-phenylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 118754184
(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
CID 42436421
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45241344
5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45250014

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (CID 45183104) is 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is CC(C)CCC1(C2CCN(C(=O)C3CC3)CC2)NC(=O)N(Cc2ccccn2)C1=O.
What is the InChIKey of 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is RKHSRTTYQTXXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-16(2)8-11-23(18-9-13-26(14-10-18)20(28)17-6-7-17)21(29)27(22(30)25-23)15-19-5-3-4-12-24-19/h3-5,12,16-18H,6-11,13-15H2,1-2H3,(H,25,30).
What are the key properties of 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 412.53 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45183104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).