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

C27H40N4O3 — CID 42163475

IUPAC(5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CC[C@]1(C2CCN(C(=O)CCC3CCCC3)CC2)NC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C27H40N4O3/c1-20(2)12-15-27(25(33)31(26(34)29-27)19-23-9-5-6-16-28-23)22-13-17-30(18-14-22)24(32)11-10-21-7-3-4-8-21/h5-6,9,16,20-22H,3-4,7-8,10-15,17-19H2,1-2H3,(H,29,34)/t27-/m1/s1
InChIKeyDQCSZWQFWNMYSH-HHHXNRCGSA-N
MW468.64 g/mol
LogP4.52
Rot. Bonds9

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

(5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 42163475) has the molecular formula C27H40N4O3 and a molecular weight of 468.64 g/mol. Its IUPAC name is (5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID42163475
Molecular FormulaC27H40N4O3
Molecular Weight468.64 g/mol
Exact Mass468.31
IUPAC Name(5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)CC[C@]1(C2CCN(C(=O)CCC3CCCC3)CC2)NC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C27H40N4O3/c1-20(2)12-15-27(25(33)31(26(34)29-27)19-23-9-5-6-16-28-23)22-13-17-30(18-14-22)24(32)11-10-21-7-3-4-8-21/h5-6,9,16,20-22H,3-4,7-8,10-15,17-19H2,1-2H3,(H,29,34)/t27-/m1/s1
InChIKeyDQCSZWQFWNMYSH-HHHXNRCGSA-N
XLogP4.52
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 45183104
(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
(5S)-3-[2-(dimethylamino)ethyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42463193
5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45239892
5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45250014
(5S)-5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42485301
(5R)-3-[2-(dimethylamino)ethyl]-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42473051
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45241344

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (CID 42163475) is (5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is CC(C)CC[C@]1(C2CCN(C(=O)CCC3CCCC3)CC2)NC(=O)N(Cc2ccccn2)C1=O.
What is the InChIKey of (5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is DQCSZWQFWNMYSH-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H40N4O3/c1-20(2)12-15-27(25(33)31(26(34)29-27)19-23-9-5-6-16-28-23)22-13-17-30(18-14-22)24(32)11-10-21-7-3-4-8-21/h5-6,9,16,20-22H,3-4,7-8,10-15,17-19H2,1-2H3,(H,29,34)/t27-/m1/s1.
What are the key properties of (5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
(5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 468.64 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42163475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).